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1787-09-3

1787-09-3 | 1-Hexadecen-1-ol, 1-acetate

CAS No: 1787-09-3 Catalog No: AG00269C MDL No:

Product Description

Catalog Number:
AG00269C
Chemical Name:
1-Hexadecen-1-ol, 1-acetate
CAS Number:
1787-09-3
Molecular Formula:
C18H34O2
Molecular Weight:
282.4614
IUPAC Name:
hexadec-1-enyl acetate
InChI:
InChI=1S/C18H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h16-17H,3-15H2,1-2H3
InChI Key:
CEMVQLPAAAYDAK-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCC=COC(=O)C

Properties

Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.256g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.468g/mol
Monoisotopic Mass:
282.256g/mol
Rotatable Bond Count:
15  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1  
XLogP3:
7.8  

Literature

Title Journal
Sex pheromone of Lonomia obliqua: daily rhythm of production, identification, and synthesis. Journal of chemical ecology 20070301

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