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82829-20-7 | 4-Hexen-1-ol, 3-methyl-6-(2,2,3-trimethyl-3-cyclopenten-1-yl)-
CAS No: 82829-20-7 Catalog No: AG0055OU MDL No:
Product Description
Catalog Number:
AG0055OU
Chemical Name:
4-Hexen-1-ol, 3-methyl-6-(2,2,3-trimethyl-3-cyclopenten-1-yl)-
CAS Number:
82829-20-7
Molecular Formula:
C15H26O
Molecular Weight:
222.3663
IUPAC Name:
3-methyl-6-(2,2,3-trimethylcyclopent-3-en-1-yl)hex-4-en-1-ol
InChI:
InChI=1S/C15H26O/c1-12(10-11-16)6-5-7-14-9-8-13(2)15(14,3)4/h5-6,8,12,14,16H,7,9-11H2,1-4H3
InChI Key:
OTNJNFFNBLSYRF-UHFFFAOYSA-N
SMILES:
OCCC(C=CCC1CC=C(C1(C)C)C)C
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.198g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.372g/mol
Monoisotopic Mass:
222.198g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
1
XLogP3:
3.7
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