1-hydroxytetradecyl acetate

C16H32O3 — CID 6365614

IUPAC1-hydroxytetradecyl acetate
SMILESCCCCCCCCCCCCCC(O)OC(C)=O
InChIInChI=1S/C16H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(18)19-15(2)17/h16,18H,3-14H2,1-2H3
InChIKeyPXIJHDFUUKDQMU-UHFFFAOYSA-N
MW272.43 g/mol
LogP4.57
Rot. Bonds13

About 1-hydroxytetradecyl acetate

1-hydroxytetradecyl acetate (PubChem CID 6365614) has the molecular formula C16H32O3 and a molecular weight of 272.43 g/mol. Its IUPAC name is 1-hydroxytetradecyl acetate.

Molecular Properties

Compound Name1-hydroxytetradecyl acetate
PubChem CID6365614
Molecular FormulaC16H32O3
Molecular Weight272.43 g/mol
Exact Mass272.24
IUPAC Name1-hydroxytetradecyl acetate
SMILESCCCCCCCCCCCCCC(O)OC(C)=O
InChIInChI=1S/C16H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(18)19-15(2)17/h16,18H,3-14H2,1-2H3
InChIKeyPXIJHDFUUKDQMU-UHFFFAOYSA-N
XLogP4.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

bis(1-hydroxydodecyl) carbonate
CID 141306739
1-acetyloxytetradecyl acetate
CID 88785738
1-hydroxydocosyl 2-methylprop-2-enoate
CID 140734527
1-hydroxyoctadecyl 3-methylbut-2-enoate
CID 141226379
pentacosan-2-yl acetate
CID 173416941
[(3S)-nonan-3-yl] acetate
CID 76967958
1-iododecyl acetate
CID 155063034
[(5R,6S)-5-hydroxyhexadecan-6-yl] acetate
CID 142709765
1-hydroxyoctyl prop-2-enoate
CID 22340227
3-hydroxyhexadecan-4-yl acetate
CID 59845354
3-hydroxyoctan-2-yl acetate
CID 141290768
(2S)-2-acetyloxydodecanoic acid
CID 90302969

Frequently Asked Questions

What is the IUPAC name of 1-hydroxytetradecyl acetate?
The IUPAC name of 1-hydroxytetradecyl acetate (CID 6365614) is 1-hydroxytetradecyl acetate.
What is the SMILES notation for 1-hydroxytetradecyl acetate?
The canonical SMILES for 1-hydroxytetradecyl acetate is CCCCCCCCCCCCCC(O)OC(C)=O.
What is the InChIKey of 1-hydroxytetradecyl acetate?
The InChIKey is PXIJHDFUUKDQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-16(18)19-15(2)17/h16,18H,3-14H2,1-2H3.
What are the key properties of 1-hydroxytetradecyl acetate?
1-hydroxytetradecyl acetate has a molecular weight of 272.43 g/mol, XLogP of 4.57, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxytetradecyl acetate is sourced from PubChem (CID 6365614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).