13-oxabicyclo[10.1.0]tridecan-2-one

C12H20O2 — CID 10241795

IUPAC13-oxabicyclo[10.1.0]tridecan-2-one
SMILESO=C1CCCCCCCCCC2OC12
InChIInChI=1S/C12H20O2/c13-10-8-6-4-2-1-3-5-7-9-11-12(10)14-11/h11-12H,1-9H2
InChIKeyRKOIIDSNNURSJM-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.85
Rot. Bonds

About 13-oxabicyclo[10.1.0]tridecan-2-one

13-oxabicyclo[10.1.0]tridecan-2-one (PubChem CID 10241795) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 13-oxabicyclo[10.1.0]tridecan-2-one.

Molecular Properties

Compound Name13-oxabicyclo[10.1.0]tridecan-2-one
PubChem CID10241795
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name13-oxabicyclo[10.1.0]tridecan-2-one
SMILESO=C1CCCCCCCCCC2OC12
InChIInChI=1S/C12H20O2/c13-10-8-6-4-2-1-3-5-7-9-11-12(10)14-11/h11-12H,1-9H2
InChIKeyRKOIIDSNNURSJM-UHFFFAOYSA-N
XLogP2.85
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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]tridecan-2-one?
The IUPAC name of 13-oxabicyclo[10.1.0]tridecan-2-one (CID 10241795) is 13-oxabicyclo[10.1.0]tridecan-2-one.
What is the SMILES notation for 13-oxabicyclo[10.1.0]tridecan-2-one?
The canonical SMILES for 13-oxabicyclo[10.1.0]tridecan-2-one is O=C1CCCCCCCCCC2OC12.
What is the InChIKey of 13-oxabicyclo[10.1.0]tridecan-2-one?
The InChIKey is RKOIIDSNNURSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c13-10-8-6-4-2-1-3-5-7-9-11-12(10)14-11/h11-12H,1-9H2.
What are the key properties of 13-oxabicyclo[10.1.0]tridecan-2-one?
13-oxabicyclo[10.1.0]tridecan-2-one has a molecular weight of 196.29 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13-oxabicyclo[10.1.0]tridecan-2-one is sourced from PubChem (CID 10241795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).