13-oxabicyclo[10.1.0]tridecane

C12H22O — CID 9248

IUPAC13-oxabicyclo[10.1.0]tridecane
SMILESC1CCCCCC2OC2CCCC1
InChIInChI=1S/C12H22O/c1-2-4-6-8-10-12-11(13-12)9-7-5-3-1/h11-12H,1-10H2
InChIKeyVLJLXEKIAALSJE-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.67
Rot. Bonds

About 13-oxabicyclo[10.1.0]tridecane

13-oxabicyclo[10.1.0]tridecane (PubChem CID 9248) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 13-oxabicyclo[10.1.0]tridecane.

Molecular Properties

Compound Name13-oxabicyclo[10.1.0]tridecane
PubChem CID9248
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name13-oxabicyclo[10.1.0]tridecane
SMILESC1CCCCCC2OC2CCCC1
InChIInChI=1S/C12H22O/c1-2-4-6-8-10-12-11(13-12)9-7-5-3-1/h11-12H,1-10H2
InChIKeyVLJLXEKIAALSJE-UHFFFAOYSA-N
XLogP3.67
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 13-oxabicyclo[10.1.0]tridecane?
The IUPAC name of 13-oxabicyclo[10.1.0]tridecane (CID 9248) is 13-oxabicyclo[10.1.0]tridecane.
What is the SMILES notation for 13-oxabicyclo[10.1.0]tridecane?
The canonical SMILES for 13-oxabicyclo[10.1.0]tridecane is C1CCCCCC2OC2CCCC1.
What is the InChIKey of 13-oxabicyclo[10.1.0]tridecane?
The InChIKey is VLJLXEKIAALSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-2-4-6-8-10-12-11(13-12)9-7-5-3-1/h11-12H,1-10H2.
What are the key properties of 13-oxabicyclo[10.1.0]tridecane?
13-oxabicyclo[10.1.0]tridecane has a molecular weight of 182.31 g/mol, XLogP of 3.67, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 13-oxabicyclo[10.1.0]tridecane is sourced from PubChem (CID 9248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).