2,7-Octadien-1-ol, 1-acetate

HCID 19013
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Basic information

CAS
3491-27-8
Standard SMILES
C=CCCCC=CCOC(C)=O
InChIKey
RDOHPVPONNHSPH-UHFFFAOYSA-N
Molecular formula
C10H16O2
Average molar mass
168.23 g/mol
Monoisotopic mass
168.11502975

Names & identifiers

Preferred name
2,7-Octadien-1-ol, 1-acetate
IUPAC
octa-2,7-dienyl acetate

Names & synonyms

3491-27-8RefChem:2488742,7-Octadien-1-ol, 1-acetate1-acetoxyocta-2,7-dieneocta-2,7-dienyl acetateSCHEMBL991225Octa-2,7-dien-1-yl acetateRDOHPVPONNHSPH-UHFFFAOYSA-NDTXSID901031750

Database identifiers

CAS
3491-27-8
PubChem CID
19013
DTXSID
DTXSID901031750

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
7
Heavy atoms
12

Related reactions

1 records
New reaction record

Compound notes

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