6-pentadecyloxan-2-one

C20H38O2 — CID 526795

IUPAC6-pentadecyloxan-2-one
SMILESCCCCCCCCCCCCCCCC1CCCC(=O)O1
InChIInChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(21)22-19/h19H,2-18H2,1H3
InChIKeyLLPDOHGLBDHCJZ-UHFFFAOYSA-N
MW310.52 g/mol
LogP6.56
Rot. Bonds14

About 6-pentadecyloxan-2-one

6-pentadecyloxan-2-one (PubChem CID 526795) has the molecular formula C20H38O2 and a molecular weight of 310.52 g/mol. Its IUPAC name is 6-pentadecyloxan-2-one.

Molecular Properties

Compound Name6-pentadecyloxan-2-one
PubChem CID526795
Molecular FormulaC20H38O2
Molecular Weight310.52 g/mol
Exact Mass310.29
IUPAC Name6-pentadecyloxan-2-one
SMILESCCCCCCCCCCCCCCCC1CCCC(=O)O1
InChIInChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(21)22-19/h19H,2-18H2,1H3
InChIKeyLLPDOHGLBDHCJZ-UHFFFAOYSA-N
XLogP6.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.52
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-pentadecyloxan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-pentadecyloxan-2-one?
The IUPAC name of 6-pentadecyloxan-2-one (CID 526795) is 6-pentadecyloxan-2-one.
What is the SMILES notation for 6-pentadecyloxan-2-one?
The canonical SMILES for 6-pentadecyloxan-2-one is CCCCCCCCCCCCCCCC1CCCC(=O)O1.
What is the InChIKey of 6-pentadecyloxan-2-one?
The InChIKey is LLPDOHGLBDHCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(21)22-19/h19H,2-18H2,1H3.
What are the key properties of 6-pentadecyloxan-2-one?
6-pentadecyloxan-2-one has a molecular weight of 310.52 g/mol, XLogP of 6.56, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pentadecyloxan-2-one is sourced from PubChem (CID 526795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).