1-acetyloxytetradecyl acetate

C18H34O4 — CID 88785738

IUPAC1-acetyloxytetradecyl acetate
SMILESCCCCCCCCCCCCCC(OC(C)=O)OC(C)=O
InChIInChI=1S/C18H34O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(21-16(2)19)22-17(3)20/h18H,4-15H2,1-3H3
InChIKeyIRJRCSMEYRDYDF-UHFFFAOYSA-N
MW314.47 g/mol
LogP5.14
Rot. Bonds14

About 1-acetyloxytetradecyl acetate

1-acetyloxytetradecyl acetate (PubChem CID 88785738) has the molecular formula C18H34O4 and a molecular weight of 314.47 g/mol. Its IUPAC name is 1-acetyloxytetradecyl acetate.

Molecular Properties

Compound Name1-acetyloxytetradecyl acetate
PubChem CID88785738
Molecular FormulaC18H34O4
Molecular Weight314.47 g/mol
Exact Mass314.25
IUPAC Name1-acetyloxytetradecyl acetate
SMILESCCCCCCCCCCCCCC(OC(C)=O)OC(C)=O
InChIInChI=1S/C18H34O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(21-16(2)19)22-17(3)20/h18H,4-15H2,1-3H3
InChIKeyIRJRCSMEYRDYDF-UHFFFAOYSA-N
XLogP5.14
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.47
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-acetyloxydecyl heptanoate
CID 87914473
1-propanoyloxyoctadecyl propanoate
CID 154386000
1-hydroxytetradecyl acetate
CID 6365614
1-pentadecanoyloxyoctyl pentadecanoate
CID 140629767
1-icosanoyloxydodecyl icosanoate
CID 121388091
1-octadecanoyloxyoctyl octadecanoate
CID 140629653
1-tridecanoyloxyoctyl tridecanoate
CID 121387970
1-icosanoyloxyoctyl icosanoate
CID 140629763
1-dodecanoyloxyoctyl dodecanoate
CID 140629725
pentacosan-2-yl acetate
CID 173416941
1-acetyloxybutyl hexanoate
CID 57134714
[(3S)-nonan-3-yl] acetate
CID 76967958

Frequently Asked Questions

What is the IUPAC name of 1-acetyloxytetradecyl acetate?
The IUPAC name of 1-acetyloxytetradecyl acetate (CID 88785738) is 1-acetyloxytetradecyl acetate.
What is the SMILES notation for 1-acetyloxytetradecyl acetate?
The canonical SMILES for 1-acetyloxytetradecyl acetate is CCCCCCCCCCCCCC(OC(C)=O)OC(C)=O.
What is the InChIKey of 1-acetyloxytetradecyl acetate?
The InChIKey is IRJRCSMEYRDYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(21-16(2)19)22-17(3)20/h18H,4-15H2,1-3H3.
What are the key properties of 1-acetyloxytetradecyl acetate?
1-acetyloxytetradecyl acetate has a molecular weight of 314.47 g/mol, XLogP of 5.14, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyloxytetradecyl acetate is sourced from PubChem (CID 88785738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).