Octa-1,7-dien-3-yl acetate
Basic information
- CAS
3491-26-7- Standard SMILES
C=CCCCC(C=C)OC(C)=O- InChIKey
CSSYVPGEVYWPNO-UHFFFAOYSA-N- Molecular formula
- C10H16O2
- Average molar mass
- 168.23 g/mol
- Monoisotopic mass
- 168.11502975
Names & identifiers
- Preferred name
- Octa-1,7-dien-3-yl acetate
- IUPAC
- octa-1,7-dien-3-yl acetate
- English name
- 1,7-Octadien-3-ol, acetate
- Molecular formula
- C10H16O2
- Molecular weight
- 168.23
Names & synonyms
octa-1,7-dien-3-yl acetate3-acetoxy-1,7-octadiene1-Vinyl-5-hexenyl acetate1,7-Octadien-3-ol, acetate1-Vinyl-5-hexenyl acetate #SCHEMBL4834776CSSYVPGEVYWPNO-UHFFFAOYSA-InChI=1/C10H16O2/c1-4-6-7-8-10(5-2)12-9(3)11/h4-5,10H,1-2,6-8H2,3H31,7-Octadien-3-ol, 3-acetateAcetic acid 1-vinyl-5-hexenyl ester
Database identifiers
- CAS
3491-26-7- PubChem CID
- 537535
- Nikkaji
- J129.409A
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- CAS DataBase Reference
- 3491 · 3491-26-7
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
1 records
Compound notes
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