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311-75-1 | Bicyclo[1.1.1]pentane
CAS No: 311-75-1 Catalog No: AG00324Q MDL No:
Product Description
Catalog Number:
AG00324Q
Chemical Name:
Bicyclo[1.1.1]pentane
CAS Number:
311-75-1
Molecular Formula:
C5H8
Molecular Weight:
68.1170
IUPAC Name:
bicyclo[1.1.1]pentane
InChI:
InChI=1S/C5H8/c1-4-2-5(1)3-4/h4-5H,1-3H2
InChI Key:
MKCBRYIXFFGIKN-UHFFFAOYSA-N
SMILES:
C1C2CC1C2
Properties
Complexity:
28.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
68.063g/mol
Formal Charge:
0
Heavy Atom Count:
5
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
68.119g/mol
Monoisotopic Mass:
68.063g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| Alkynyl-functionalised and linked bicyclo[1.1.1]pentanes of group 14. | Chemical communications (Cambridge, England) 20120711 |
| Application of the bicyclo[1.1.1]pentane motif as a nonclassical phenyl ring bioisostere in the design of a potent and orally active γ-secretase inhibitor. | Journal of medicinal chemistry 20120412 |
| Experimental and computational bridgehead C-H bond dissociation enthalpies. | The Journal of organic chemistry 20120217 |
| QTAIM investigation of the electronic structure and large Raman scattering intensity of bicyclo-[1.1.1]-pentane. | The journal of physical chemistry. A 20111117 |
| Electronic substituent effects in bicyclo[1.1.1]pentane and [n]staffane derivatives: a quantum chemical study based on structural variation. | The journal of physical chemistry. A 20100422 |
| T-shaped molecular building blocks by combined bridgehead and bridge substitution on bicyclo[1.1.1]pentanes. | The Journal of organic chemistry 20100402 |
| Economical post-CCSD(T) computational thermochemistry protocol and applications to some aromatic compounds. | The journal of physical chemistry. A 20090702 |
| Coupling between substituents as a function of cage structure: synthesis and valence ionized states of bridgehead disubstituted parent and hexafluorinated bicyclo[1.1.1]pentane derivatives C5X6Y2. | Chemistry, an Asian journal 20070803 |
| Synthesis of a chiral amino acid with bicyclo[1.1.1]pentane moiety and its incorporation into linear and cyclic antimicrobial peptides. | Organic & biomolecular chemistry 20070607 |
| 1,3-bicyclo[1.1.1]pentanediyl: the shortest rigid linear connector of phenylated photochromic units and a 1,5-dimethoxy-9,10-di(phenylethynyl)anthracene fluorophore. | Chemistry (Weinheim an der Bergstrasse, Germany) 20070101 |
| Polar substituent effects in the bicyclo[1.1.1]pentane ring system: acidities of 3-substituted bicyclo[1.1.1]pentane-1-carboxylic acids. | The Journal of organic chemistry 20050204 |
| Absolute intensities of Raman trace scattering from bicyclo-[1.1.1]-pentane. | The Journal of chemical physics 20040715 |
| Comprehensive study of the methyl effect on the solvolysis rates of bridgehead derivatives. | Journal of the American Chemical Society 20020612 |
| Formation of a 1-bicyclo[1.1.1]pentyl anion and an experimental determination of the acidity and C-H bond dissociation energy of 3-tert-butylbicyclo[1.1.1]pentane. | Journal of the American Chemical Society 20020320 |
| Partially bridge-fluorinated dimethyl bicyclo[1.1.1]pentane-1,3-dicarboxylates: preparation and NMR spectra. | Journal of the American Chemical Society 20010418 |
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