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101373-01-7 | 4,6,10-Hexadecatrien-1-ol, (4E,6E,10Z)-
CAS No: 101373-01-7 Catalog No: AG0004B6 MDL No:
Product Description
Catalog Number:
AG0004B6
Chemical Name:
4,6,10-Hexadecatrien-1-ol, (4E,6E,10Z)-
CAS Number:
101373-01-7
Molecular Formula:
C16H28O
Molecular Weight:
236.3929
IUPAC Name:
hexadeca-4,6,10-trien-1-ol
InChI:
InChI=1S/C16H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h6-7,10-13,17H,2-5,8-9,14-16H2,1H3
InChI Key:
AHUWGXXXQILFPZ-UHFFFAOYSA-N
SMILES:
CCCCC/C=C\CC/C=C/C=C/CCCO
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.214g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.399g/mol
Monoisotopic Mass:
236.214g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
3
XLogP3:
5.2
Literature
| Title | Journal |
|---|---|
| A new method for the preparation of 1,5-diynes. Synthesis of (4E,6Z,10Z)-4,6,10-hexadecatrien-1-ol, the pheromone component of the cocoa pod borer moth Conopomorpha cramerella. | The Journal of organic chemistry 20050401 |
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