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101315-21-3 | 4-Penten-2-yn-1-ol, 5-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (4E)-
CAS No: 101315-21-3 Catalog No: AG00047W MDL No:
Product Description
Catalog Number:
AG00047W
Chemical Name:
4-Penten-2-yn-1-ol, 5-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (4E)-
CAS Number:
101315-21-3
Molecular Formula:
C14H20O
Molecular Weight:
204.3080
IUPAC Name:
5-(2,6,6-trimethylcyclohexen-1-yl)pent-4-en-2-yn-1-ol
InChI:
InChI=1S/C14H20O/c1-12-8-7-10-14(2,3)13(12)9-5-4-6-11-15/h5,9,15H,7-8,10-11H2,1-3H3
InChI Key:
XUFUMNRCJSSRGP-UHFFFAOYSA-N
SMILES:
OCC#C/C=C/C1=C(C)CCCC1(C)C
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.151g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.313g/mol
Monoisotopic Mass:
204.151g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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