4-oxatricyclo[5.3.1.03,8]undecan-6-one

C10H14O2 — CID 140929364

IUPAC4-oxatricyclo[5.3.1.03,8]undecan-6-one
SMILESO=C1COC2CC3CCC2C1C3
InChIInChI=1S/C10H14O2/c11-9-5-12-10-4-6-1-2-7(10)8(9)3-6/h6-8,10H,1-5H2
InChIKeyXIBIDETXEGLPIZ-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.39
Rot. Bonds

About 4-oxatricyclo[5.3.1.03,8]undecan-6-one

4-oxatricyclo[5.3.1.03,8]undecan-6-one (PubChem CID 140929364) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 4-oxatricyclo[5.3.1.03,8]undecan-6-one.

Molecular Properties

Compound Name4-oxatricyclo[5.3.1.03,8]undecan-6-one
PubChem CID140929364
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name4-oxatricyclo[5.3.1.03,8]undecan-6-one
SMILESO=C1COC2CC3CCC2C1C3
InChIInChI=1S/C10H14O2/c11-9-5-12-10-4-6-1-2-7(10)8(9)3-6/h6-8,10H,1-5H2
InChIKeyXIBIDETXEGLPIZ-UHFFFAOYSA-N
XLogP1.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-oxatricyclo[5.3.1.03,8]undecan-6-one?
The IUPAC name of 4-oxatricyclo[5.3.1.03,8]undecan-6-one (CID 140929364) is 4-oxatricyclo[5.3.1.03,8]undecan-6-one.
What is the SMILES notation for 4-oxatricyclo[5.3.1.03,8]undecan-6-one?
The canonical SMILES for 4-oxatricyclo[5.3.1.03,8]undecan-6-one is O=C1COC2CC3CCC2C1C3.
What is the InChIKey of 4-oxatricyclo[5.3.1.03,8]undecan-6-one?
The InChIKey is XIBIDETXEGLPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c11-9-5-12-10-4-6-1-2-7(10)8(9)3-6/h6-8,10H,1-5H2.
What are the key properties of 4-oxatricyclo[5.3.1.03,8]undecan-6-one?
4-oxatricyclo[5.3.1.03,8]undecan-6-one has a molecular weight of 166.22 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxatricyclo[5.3.1.03,8]undecan-6-one is sourced from PubChem (CID 140929364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).