2-tetradecyloxirene

C16H30O — CID 18172944

IUPAC2-tetradecyloxirene
SMILESCCCCCCCCCCCCCCC1=CO1
InChIInChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-15-17-16/h15H,2-14H2,1H3
InChIKeyKTHPJZHEQHPNFD-UHFFFAOYSA-N
MW238.41 g/mol
LogP5.95
Rot. Bonds13

About 2-tetradecyloxirene

2-tetradecyloxirene (PubChem CID 18172944) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is 2-tetradecyloxirene.

Molecular Properties

Compound Name2-tetradecyloxirene
PubChem CID18172944
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name2-tetradecyloxirene
SMILESCCCCCCCCCCCCCCC1=CO1
InChIInChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-15-17-16/h15H,2-14H2,1H3
InChIKeyKTHPJZHEQHPNFD-UHFFFAOYSA-N
XLogP5.95
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.41
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-tetradecyloxirene 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 2-tetradecyloxirene?
The IUPAC name of 2-tetradecyloxirene (CID 18172944) is 2-tetradecyloxirene.
What is the SMILES notation for 2-tetradecyloxirene?
The canonical SMILES for 2-tetradecyloxirene is CCCCCCCCCCCCCCC1=CO1.
What is the InChIKey of 2-tetradecyloxirene?
The InChIKey is KTHPJZHEQHPNFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-15-17-16/h15H,2-14H2,1H3.
What are the key properties of 2-tetradecyloxirene?
2-tetradecyloxirene has a molecular weight of 238.41 g/mol, XLogP of 5.95, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tetradecyloxirene is sourced from PubChem (CID 18172944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).