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72393-52-3 | 4,5-Heptadien-3-ol, 6-(1-cyclohexen-1-yl)-3-ethyl-
CAS No: 72393-52-3 Catalog No: AG005HT2 MDL No:
Product Description
Catalog Number:
AG005HT2
Chemical Name:
4,5-Heptadien-3-ol, 6-(1-cyclohexen-1-yl)-3-ethyl-
CAS Number:
72393-52-3
Molecular Formula:
C15H24O
Molecular Weight:
220.3505
IUPAC Name:
6-(cyclohexen-1-yl)-3-ethylhepta-4,5-dien-3-ol
InChI:
InChI=1S/C15H24O/c1-4-15(16,5-2)12-11-13(3)14-9-7-6-8-10-14/h9,12,16H,4-8,10H2,1-3H3
InChI Key:
GUFDLKGADCLIIP-UHFFFAOYSA-N
SMILES:
CCC(C=C=C(C1=CCCCC1)C)(CC)O
Properties
Complexity:
312
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.183g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.356g/mol
Monoisotopic Mass:
220.183g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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