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163581-12-2 | 2-Tridecanol, 3,7-dimethyl-, (2S,3R,7R)-
CAS No: 163581-12-2 Catalog No: AG001U89 MDL No:
Product Description
Catalog Number:
AG001U89
Chemical Name:
2-Tridecanol, 3,7-dimethyl-, (2S,3R,7R)-
CAS Number:
163581-12-2
Molecular Formula:
C15H32O
Molecular Weight:
228.4140
IUPAC Name:
(2S,3R,7R)-3,7-dimethyltridecan-2-ol
InChI:
InChI=1S/C15H32O/c1-5-6-7-8-10-13(2)11-9-12-14(3)15(4)16/h13-16H,5-12H2,1-4H3/t13-,14-,15+/m1/s1
InChI Key:
GSOHTXXXDWFCAJ-KFWWJZLASA-N
SMILES:
CCCCCC[C@H](CCC[C@H]([C@@H](O)C)C)C
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
228.245g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.42g/mol
Monoisotopic Mass:
228.245g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
Literature
| Title | Journal |
|---|---|
| Purification, stereoisomeric analysis and quantification of sex pheromone precursors in female whole body extracts from pine sawfly species. | Journal of chemical ecology 20110101 |
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