(E)-15-(oxan-2-yloxy)pentadec-3-en-6-ol

C20H38O3 — CID 11221105

IUPAC(E)-15-(oxan-2-yloxy)pentadec-3-en-6-ol
SMILESCC/C=C/CC(O)CCCCCCCCCOC1CCCCO1
InChIInChI=1S/C20H38O3/c1-2-3-9-14-19(21)15-10-7-5-4-6-8-12-17-22-20-16-11-13-18-23-20/h3,9,19-21H,2,4-8,10-18H2,1H3/b9-3+
InChIKeyNXLQGRXSSSLOAC-YCRREMRBSA-N
MW326.52 g/mol
LogP5.37
Rot. Bonds14

About (E)-15-(oxan-2-yloxy)pentadec-3-en-6-ol

(E)-15-(oxan-2-yloxy)pentadec-3-en-6-ol (PubChem CID 11221105) has the molecular formula C20H38O3 and a molecular weight of 326.52 g/mol. Its IUPAC name is (E)-15-(oxan-2-yloxy)pentadec-3-en-6-ol.

Molecular Properties

Compound Name(E)-15-(oxan-2-yloxy)pentadec-3-en-6-ol
PubChem CID11221105
Molecular FormulaC20H38O3
Molecular Weight326.52 g/mol
Exact Mass326.28
IUPAC Name(E)-15-(oxan-2-yloxy)pentadec-3-en-6-ol
SMILESCC/C=C/CC(O)CCCCCCCCCOC1CCCCO1
InChIInChI=1S/C20H38O3/c1-2-3-9-14-19(21)15-10-7-5-4-6-8-12-17-22-20-16-11-13-18-23-20/h3,9,19-21H,2,4-8,10-18H2,1H3/b9-3+
InChIKeyNXLQGRXSSSLOAC-YCRREMRBSA-N
XLogP5.37
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.52
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-15-(oxan-2-yloxy)pentadec-3-en-6-ol 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 (E)-15-(oxan-2-yloxy)pentadec-3-en-6-ol?
The IUPAC name of (E)-15-(oxan-2-yloxy)pentadec-3-en-6-ol (CID 11221105) is (E)-15-(oxan-2-yloxy)pentadec-3-en-6-ol.
What is the SMILES notation for (E)-15-(oxan-2-yloxy)pentadec-3-en-6-ol?
The canonical SMILES for (E)-15-(oxan-2-yloxy)pentadec-3-en-6-ol is CC/C=C/CC(O)CCCCCCCCCOC1CCCCO1.
What is the InChIKey of (E)-15-(oxan-2-yloxy)pentadec-3-en-6-ol?
The InChIKey is NXLQGRXSSSLOAC-YCRREMRBSA-N. The full InChI is InChI=1S/C20H38O3/c1-2-3-9-14-19(21)15-10-7-5-4-6-8-12-17-22-20-16-11-13-18-23-20/h3,9,19-21H,2,4-8,10-18H2,1H3/b9-3+.
What are the key properties of (E)-15-(oxan-2-yloxy)pentadec-3-en-6-ol?
(E)-15-(oxan-2-yloxy)pentadec-3-en-6-ol has a molecular weight of 326.52 g/mol, XLogP of 5.37, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-15-(oxan-2-yloxy)pentadec-3-en-6-ol is sourced from PubChem (CID 11221105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).