5-oxatricyclo[4.2.1.03,9]nonan-4-one

C8H10O2 — CID 12820553

IUPAC5-oxatricyclo[4.2.1.03,9]nonan-4-one
SMILESO=C1OC2CCC3CC1C32
InChIInChI=1S/C8H10O2/c9-8-5-3-4-1-2-6(10-8)7(4)5/h4-7H,1-3H2
InChIKeyKOAYBIVRYWNQBG-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.96
Rot. Bonds

About 5-oxatricyclo[4.2.1.03,9]nonan-4-one

5-oxatricyclo[4.2.1.03,9]nonan-4-one (PubChem CID 12820553) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 5-oxatricyclo[4.2.1.03,9]nonan-4-one.

Molecular Properties

Compound Name5-oxatricyclo[4.2.1.03,9]nonan-4-one
PubChem CID12820553
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name5-oxatricyclo[4.2.1.03,9]nonan-4-one
SMILESO=C1OC2CCC3CC1C32
InChIInChI=1S/C8H10O2/c9-8-5-3-4-1-2-6(10-8)7(4)5/h4-7H,1-3H2
InChIKeyKOAYBIVRYWNQBG-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

Analyze 5-oxatricyclo[4.2.1.03,9]nonan-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3aS,6aS)-Hexahydro-2H-cyclopenta(b)furan-2-one
CID 10351704
hexahydro-2H-cyclopenta[b]furan-2-one
CID 11665410
(3aR,6aR)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 12282107
(3aR,6aS)-4,4-dimethyl-3a,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one
CID 15259808
(3S,3aS,6aS)-3-ethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 139265863
(3R,3aS,6aS)-3-ethyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 139265865
(3aR,4R,5R,6aS)-4-ethyl-5-fluoro-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 59065315
(3aR,4R,5S,6aS)-4-ethyl-5-fluoro-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 59956908
Octahydro-2H-pentaleno[1,6-bc]furan-2-one
CID 10307876
(1S,4R,7R,10S)-2-oxatricyclo[5.2.1.04,10]decan-3-one
CID 11332566
1,4-Dimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
CID 12313276
1,4,5-Trimethyl-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
CID 89099589

Frequently Asked Questions

What is the IUPAC name of 5-oxatricyclo[4.2.1.03,9]nonan-4-one?
The IUPAC name of 5-oxatricyclo[4.2.1.03,9]nonan-4-one (CID 12820553) is 5-oxatricyclo[4.2.1.03,9]nonan-4-one.
What is the SMILES notation for 5-oxatricyclo[4.2.1.03,9]nonan-4-one?
The canonical SMILES for 5-oxatricyclo[4.2.1.03,9]nonan-4-one is O=C1OC2CCC3CC1C32.
What is the InChIKey of 5-oxatricyclo[4.2.1.03,9]nonan-4-one?
The InChIKey is KOAYBIVRYWNQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c9-8-5-3-4-1-2-6(10-8)7(4)5/h4-7H,1-3H2.
What are the key properties of 5-oxatricyclo[4.2.1.03,9]nonan-4-one?
5-oxatricyclo[4.2.1.03,9]nonan-4-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 5-oxatricyclo[4.2.1.03,9]nonan-4-one is sourced from PubChem (CID 12820553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).