1-prop-1-en-2-yl-13-oxabicyclo[10.1.0]tridecane

C15H26O — CID 14909193

IUPAC1-prop-1-en-2-yl-13-oxabicyclo[10.1.0]tridecane
SMILESC=C(C)C12CCCCCCCCCCC1O2
InChIInChI=1S/C15H26O/c1-13(2)15-12-10-8-6-4-3-5-7-9-11-14(15)16-15/h14H,1,3-12H2,2H3
InChIKeyFDAVDVPLWUEODM-UHFFFAOYSA-N
MW222.37 g/mol
LogP4.61
Rot. Bonds1

About 1-prop-1-en-2-yl-13-oxabicyclo[10.1.0]tridecane

1-prop-1-en-2-yl-13-oxabicyclo[10.1.0]tridecane (PubChem CID 14909193) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is 1-prop-1-en-2-yl-13-oxabicyclo[10.1.0]tridecane.

Molecular Properties

Compound Name1-prop-1-en-2-yl-13-oxabicyclo[10.1.0]tridecane
PubChem CID14909193
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name1-prop-1-en-2-yl-13-oxabicyclo[10.1.0]tridecane
SMILESC=C(C)C12CCCCCCCCCCC1O2
InChIInChI=1S/C15H26O/c1-13(2)15-12-10-8-6-4-3-5-7-9-11-14(15)16-15/h14H,1,3-12H2,2H3
InChIKeyFDAVDVPLWUEODM-UHFFFAOYSA-N
XLogP4.61
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 1-prop-1-en-2-yl-13-oxabicyclo[10.1.0]tridecane 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 1-prop-1-en-2-yl-13-oxabicyclo[10.1.0]tridecane?
The IUPAC name of 1-prop-1-en-2-yl-13-oxabicyclo[10.1.0]tridecane (CID 14909193) is 1-prop-1-en-2-yl-13-oxabicyclo[10.1.0]tridecane.
What is the SMILES notation for 1-prop-1-en-2-yl-13-oxabicyclo[10.1.0]tridecane?
The canonical SMILES for 1-prop-1-en-2-yl-13-oxabicyclo[10.1.0]tridecane is C=C(C)C12CCCCCCCCCCC1O2.
What is the InChIKey of 1-prop-1-en-2-yl-13-oxabicyclo[10.1.0]tridecane?
The InChIKey is FDAVDVPLWUEODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O/c1-13(2)15-12-10-8-6-4-3-5-7-9-11-14(15)16-15/h14H,1,3-12H2,2H3.
What are the key properties of 1-prop-1-en-2-yl-13-oxabicyclo[10.1.0]tridecane?
1-prop-1-en-2-yl-13-oxabicyclo[10.1.0]tridecane has a molecular weight of 222.37 g/mol, XLogP of 4.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-en-2-yl-13-oxabicyclo[10.1.0]tridecane is sourced from PubChem (CID 14909193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).