tetradecyl acetate

C16H32O2 — CID 12531

IUPACtetradecyl acetate
SMILESCCCCCCCCCCCCCCOC(C)=O
InChIInChI=1S/C16H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h3-15H2,1-2H3
InChIKeyIOUUIFSIQMVYKP-UHFFFAOYSA-N
MW256.43 g/mol
LogP5.25
Rot. Bonds13

About tetradecyl acetate

tetradecyl acetate (PubChem CID 12531) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is tetradecyl acetate.

Molecular Properties

Compound Nametetradecyl acetate
PubChem CID12531
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Nametetradecyl acetate
SMILESCCCCCCCCCCCCCCOC(C)=O
InChIInChI=1S/C16H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h3-15H2,1-2H3
InChIKeyIOUUIFSIQMVYKP-UHFFFAOYSA-N
XLogP5.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.43
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetradecyl acetate?
The IUPAC name of tetradecyl acetate (CID 12531) is tetradecyl acetate.
What is the SMILES notation for tetradecyl acetate?
The canonical SMILES for tetradecyl acetate is CCCCCCCCCCCCCCOC(C)=O.
What is the InChIKey of tetradecyl acetate?
The InChIKey is IOUUIFSIQMVYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h3-15H2,1-2H3.
What are the key properties of tetradecyl acetate?
tetradecyl acetate has a molecular weight of 256.43 g/mol, XLogP of 5.25, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecyl acetate is sourced from PubChem (CID 12531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).