[(E)-dec-3-enyl] propanoate

C13H24O2 — CID 45142124

IUPAC[(E)-dec-3-enyl] propanoate
SMILESCCCCCC/C=C/CCOC(=O)CC
InChIInChI=1S/C13H24O2/c1-3-5-6-7-8-9-10-11-12-15-13(14)4-2/h9-10H,3-8,11-12H2,1-2H3/b10-9+
InChIKeyPLEYMPHGOFQAOZ-MDZDMXLPSA-N
MW212.33 g/mol
LogP3.86
Rot. Bonds9

About [(E)-dec-3-enyl] propanoate

[(E)-dec-3-enyl] propanoate (PubChem CID 45142124) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is [(E)-dec-3-enyl] propanoate.

Molecular Properties

Compound Name[(E)-dec-3-enyl] propanoate
PubChem CID45142124
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name[(E)-dec-3-enyl] propanoate
SMILESCCCCCC/C=C/CCOC(=O)CC
InChIInChI=1S/C13H24O2/c1-3-5-6-7-8-9-10-11-12-15-13(14)4-2/h9-10H,3-8,11-12H2,1-2H3/b10-9+
InChIKeyPLEYMPHGOFQAOZ-MDZDMXLPSA-N
XLogP3.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(Z)-dec-3-enyl] propanoate
CID 129170896
[(E)-hexadec-5-enyl] propanoate
CID 23434883
[(Z)-oct-3-enyl] propanoate
CID 20836326
[(Z)-dodec-7-enyl] propanoate
CID 56935984
[(Z)-octadec-9-enyl] propanoate;sulfuric acid
CID 159542544
[(E)-dec-3-enyl] (E)-dec-5-enoate
CID 172558184
[(Z)-non-3-enyl] butanoate
CID 175318305
1-O-pentyl 5-O-[(E)-tetradec-3-enyl] pentanedioate
CID 91708813
1-O-butyl 10-O-[(Z)-non-3-enyl] decanedioate
CID 91712182
1-O-octyl 5-O-[(E)-tetradec-3-enyl] pentanedioate
CID 91705732
6-O-[(Z)-non-3-enyl] 1-O-nonyl hexanedioate
CID 91713684
[(Z)-non-3-enyl] 8-hydroxyoctanoate
CID 172621176

Frequently Asked Questions

What is the IUPAC name of [(E)-dec-3-enyl] propanoate?
The IUPAC name of [(E)-dec-3-enyl] propanoate (CID 45142124) is [(E)-dec-3-enyl] propanoate.
What is the SMILES notation for [(E)-dec-3-enyl] propanoate?
The canonical SMILES for [(E)-dec-3-enyl] propanoate is CCCCCC/C=C/CCOC(=O)CC.
What is the InChIKey of [(E)-dec-3-enyl] propanoate?
The InChIKey is PLEYMPHGOFQAOZ-MDZDMXLPSA-N. The full InChI is InChI=1S/C13H24O2/c1-3-5-6-7-8-9-10-11-12-15-13(14)4-2/h9-10H,3-8,11-12H2,1-2H3/b10-9+.
What are the key properties of [(E)-dec-3-enyl] propanoate?
[(E)-dec-3-enyl] propanoate has a molecular weight of 212.33 g/mol, XLogP of 3.86, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-dec-3-enyl] propanoate is sourced from PubChem (CID 45142124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).