4-hydroxytetradecan-5-one

C14H28O2 — CID 57396727

IUPAC4-hydroxytetradecan-5-one
SMILESCCCCCCCCCC(=O)C(O)CCC
InChIInChI=1S/C14H28O2/c1-3-5-6-7-8-9-10-12-14(16)13(15)11-4-2/h13,15H,3-12H2,1-2H3
InChIKeyPWAVSBFYJVACGW-UHFFFAOYSA-N
MW228.38 g/mol
LogP3.86
Rot. Bonds11

About 4-hydroxytetradecan-5-one

4-hydroxytetradecan-5-one (PubChem CID 57396727) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 4-hydroxytetradecan-5-one.

Molecular Properties

Compound Name4-hydroxytetradecan-5-one
PubChem CID57396727
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name4-hydroxytetradecan-5-one
SMILESCCCCCCCCCC(=O)C(O)CCC
InChIInChI=1S/C14H28O2/c1-3-5-6-7-8-9-10-12-14(16)13(15)11-4-2/h13,15H,3-12H2,1-2H3
InChIKeyPWAVSBFYJVACGW-UHFFFAOYSA-N
XLogP3.86
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
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 4-hydroxytetradecan-5-one?
The IUPAC name of 4-hydroxytetradecan-5-one (CID 57396727) is 4-hydroxytetradecan-5-one.
What is the SMILES notation for 4-hydroxytetradecan-5-one?
The canonical SMILES for 4-hydroxytetradecan-5-one is CCCCCCCCCC(=O)C(O)CCC.
What is the InChIKey of 4-hydroxytetradecan-5-one?
The InChIKey is PWAVSBFYJVACGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-3-5-6-7-8-9-10-12-14(16)13(15)11-4-2/h13,15H,3-12H2,1-2H3.
What are the key properties of 4-hydroxytetradecan-5-one?
4-hydroxytetradecan-5-one has a molecular weight of 228.38 g/mol, XLogP of 3.86, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxytetradecan-5-one is sourced from PubChem (CID 57396727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).