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Acetic acid 1-dodecenyl ester

HCID 41879
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Basic information

CAS
56438-08-5
Standard SMILES
CCCCCCCCCCC=COC(C)=O
InChIKey
MAAMIILYYYQTQW-UHFFFAOYSA-N
Molecular formula
C14H26O2
Average molar mass
226.35 g/mol
Monoisotopic mass
226.19328007

Names & identifiers

Preferred name
Acetic acid 1-dodecenyl ester
IUPAC
dodec-1-enyl acetate

Names & synonyms

1-dodecenyl acetatedodec-1-en-1-yl acetateAcetic acid 1-dodecenyl esterSCHEMBL1630154DB-253694

Database identifiers

CAS
56438-08-5
PubChem CID
41879
DTXSID
DTXSID501016213

Properties

Computed structural properties

XLogP
5.6
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
11
Heavy atoms
16
Formal charge
0
Complexity
185

Related reactions

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Compound notes

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