[(E)-tetradec-4-en-6-yl] acetate

C16H30O2 — CID 134892494

IUPAC[(E)-tetradec-4-en-6-yl] acetate
SMILESCCC/C=C/C(CCCCCCCC)OC(C)=O
InChIInChI=1S/C16H30O2/c1-4-6-8-9-10-12-14-16(18-15(3)17)13-11-7-5-2/h11,13,16H,4-10,12,14H2,1-3H3/b13-11+
InChIKeyVAIHCHNPMHCZSX-ACCUITESSA-N
MW254.41 g/mol
LogP5.03
Rot. Bonds11

About [(E)-tetradec-4-en-6-yl] acetate

[(E)-tetradec-4-en-6-yl] acetate (PubChem CID 134892494) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is [(E)-tetradec-4-en-6-yl] acetate.

Molecular Properties

Compound Name[(E)-tetradec-4-en-6-yl] acetate
PubChem CID134892494
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name[(E)-tetradec-4-en-6-yl] acetate
SMILESCCC/C=C/C(CCCCCCCC)OC(C)=O
InChIInChI=1S/C16H30O2/c1-4-6-8-9-10-12-14-16(18-15(3)17)13-11-7-5-2/h11,13,16H,4-10,12,14H2,1-3H3/b13-11+
InChIKeyVAIHCHNPMHCZSX-ACCUITESSA-N
XLogP5.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.41
LogP ≤ 55.03
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

11-Tetradecenyl acetate, (11E)-
CID 5367650
11-Tetradecenyl acetate, (11Z)-
CID 5367692
(Z)-9-Tetradecenyl acetate
CID 5364714
9,12-Tetradecadien-1-ol, 1-acetate, (9E,12Z)-
CID 6436633
1-Octen-3-yl acetate
CID 17121
2-Nonenoic acid gamma-lactone
CID 89559
Massoia Lactone
CID 642793
5-HYDROXY-2-DODECENOIC ACID delta-LACTONE
CID 61834
2-Hexenyl octanoate, (E)-
CID 5365136
11-Hexadecenyl acetate, (11Z)-
CID 5364711
8-Dodecenyl acetate, (8E)-
CID 5363237
8-Dodecen-1-ol, 1-acetate, (8Z)-
CID 5363377

Frequently Asked Questions

What is the IUPAC name of [(E)-tetradec-4-en-6-yl] acetate?
The IUPAC name of [(E)-tetradec-4-en-6-yl] acetate (CID 134892494) is [(E)-tetradec-4-en-6-yl] acetate.
What is the SMILES notation for [(E)-tetradec-4-en-6-yl] acetate?
The canonical SMILES for [(E)-tetradec-4-en-6-yl] acetate is CCC/C=C/C(CCCCCCCC)OC(C)=O.
What is the InChIKey of [(E)-tetradec-4-en-6-yl] acetate?
The InChIKey is VAIHCHNPMHCZSX-ACCUITESSA-N. The full InChI is InChI=1S/C16H30O2/c1-4-6-8-9-10-12-14-16(18-15(3)17)13-11-7-5-2/h11,13,16H,4-10,12,14H2,1-3H3/b13-11+.
What are the key properties of [(E)-tetradec-4-en-6-yl] acetate?
[(E)-tetradec-4-en-6-yl] acetate has a molecular weight of 254.41 g/mol, XLogP of 5.03, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-tetradec-4-en-6-yl] acetate is sourced from PubChem (CID 134892494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).