tetradec-2-enyl acetate

C16H30O2 — CID 536507

IUPACtetradec-2-enyl acetate
SMILESCCCCCCCCCCCC=CCOC(C)=O
InChIInChI=1S/C16H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h13-14H,3-12,15H2,1-2H3
InChIKeyVUMJUHLCRBNTAR-UHFFFAOYSA-N
MW254.41 g/mol
LogP5.03
Rot. Bonds12

About tetradec-2-enyl acetate

tetradec-2-enyl acetate (PubChem CID 536507) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is tetradec-2-enyl acetate.

Molecular Properties

Compound Nametetradec-2-enyl acetate
PubChem CID536507
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Nametetradec-2-enyl acetate
SMILESCCCCCCCCCCCC=CCOC(C)=O
InChIInChI=1S/C16H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h13-14H,3-12,15H2,1-2H3
InChIKeyVUMJUHLCRBNTAR-UHFFFAOYSA-N
XLogP5.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
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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Frequently Asked Questions

What is the IUPAC name of tetradec-2-enyl acetate?
The IUPAC name of tetradec-2-enyl acetate (CID 536507) is tetradec-2-enyl acetate.
What is the SMILES notation for tetradec-2-enyl acetate?
The canonical SMILES for tetradec-2-enyl acetate is CCCCCCCCCCCC=CCOC(C)=O.
What is the InChIKey of tetradec-2-enyl acetate?
The InChIKey is VUMJUHLCRBNTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h13-14H,3-12,15H2,1-2H3.
What are the key properties of tetradec-2-enyl acetate?
tetradec-2-enyl acetate has a molecular weight of 254.41 g/mol, XLogP of 5.03, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetradec-2-enyl acetate is sourced from PubChem (CID 536507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).