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1564-99-4 | 5-Octene-1,7-diol, 3,7-dimethyl-
CAS No: 1564-99-4 Catalog No: AG001OPV MDL No:
Product Description
Catalog Number:
AG001OPV
Chemical Name:
5-Octene-1,7-diol, 3,7-dimethyl-
CAS Number:
1564-99-4
Molecular Formula:
C10H20O2
Molecular Weight:
172.2646
IUPAC Name:
3,7-dimethyloct-5-ene-1,7-diol
InChI:
InChI=1S/C10H20O2/c1-9(6-8-11)5-4-7-10(2,3)12/h4,7,9,11-12H,5-6,8H2,1-3H3
InChI Key:
VXRCLLPWPPTREM-UHFFFAOYSA-N
SMILES:
OCCC(CC=CC(O)(C)C)C
EC Number:
605-059-1
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.146g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
172.268g/mol
Monoisotopic Mass:
172.146g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Stereoselective formation of the varietal aroma compound rose oxide during alcoholic fermentation. | Journal of agricultural and food chemistry 20080227 |
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