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Home > Other Heterocycles > 131515-36-1
131515-36-1 | Ethanone, 1-(3-pentylbicyclo[1.1.1]pent-1-yl)-
CAS No: 131515-36-1 Catalog No: AG00734R MDL No:
Product Description
Catalog Number:
AG00734R
Chemical Name:
Ethanone, 1-(3-pentylbicyclo[1.1.1]pent-1-yl)-
CAS Number:
131515-36-1
Molecular Formula:
C12H20O
Molecular Weight:
180.2866
IUPAC Name:
1-(3-pentyl-1-bicyclo[1.1.1]pentanyl)ethanone
InChI:
InChI=1S/C12H20O/c1-3-4-5-6-11-7-12(8-11,9-11)10(2)13/h3-9H2,1-2H3
InChI Key:
XEXWCBUDMVCDCR-UHFFFAOYSA-N
SMILES:
CCCCCC12CC(C1)(C2)C(=O)C
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.151g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.291g/mol
Monoisotopic Mass:
180.151g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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