4-oxatricyclo[4.3.0.03,8]nonan-5-one

C8H10O2 — CID 18336320

IUPAC4-oxatricyclo[4.3.0.03,8]nonan-5-one
SMILESO=C1OC2CC3CC2CC13
InChIInChI=1S/C8H10O2/c9-8-6-2-5-1-4(6)3-7(5)10-8/h4-7H,1-3H2
InChIKeyMTTPHNIIPDCBNQ-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.96
Rot. Bonds

About 4-oxatricyclo[4.3.0.03,8]nonan-5-one

4-oxatricyclo[4.3.0.03,8]nonan-5-one (PubChem CID 18336320) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 4-oxatricyclo[4.3.0.03,8]nonan-5-one.

Molecular Properties

Compound Name4-oxatricyclo[4.3.0.03,8]nonan-5-one
PubChem CID18336320
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name4-oxatricyclo[4.3.0.03,8]nonan-5-one
SMILESO=C1OC2CC3CC2CC13
InChIInChI=1S/C8H10O2/c9-8-6-2-5-1-4(6)3-7(5)10-8/h4-7H,1-3H2
InChIKeyMTTPHNIIPDCBNQ-UHFFFAOYSA-N
XLogP0.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-oxatricyclo[4.3.0.03,8]nonan-5-one?
The IUPAC name of 4-oxatricyclo[4.3.0.03,8]nonan-5-one (CID 18336320) is 4-oxatricyclo[4.3.0.03,8]nonan-5-one.
What is the SMILES notation for 4-oxatricyclo[4.3.0.03,8]nonan-5-one?
The canonical SMILES for 4-oxatricyclo[4.3.0.03,8]nonan-5-one is O=C1OC2CC3CC2CC13.
What is the InChIKey of 4-oxatricyclo[4.3.0.03,8]nonan-5-one?
The InChIKey is MTTPHNIIPDCBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c9-8-6-2-5-1-4(6)3-7(5)10-8/h4-7H,1-3H2.
What are the key properties of 4-oxatricyclo[4.3.0.03,8]nonan-5-one?
4-oxatricyclo[4.3.0.03,8]nonan-5-one has a molecular weight of 138.17 g/mol, XLogP of 0.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxatricyclo[4.3.0.03,8]nonan-5-one is sourced from PubChem (CID 18336320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).