7-oxaspiro[3.5]nonan-3-one

C8H12O2 — CID 71744025

IUPAC7-oxaspiro[3.5]nonan-3-one
SMILESO=C1CCC12CCOCC2
InChIInChI=1S/C8H12O2/c9-7-1-2-8(7)3-5-10-6-4-8/h1-6H2
InChIKeyGYIZAYLNFPEFBJ-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.15
Rot. Bonds

About 7-oxaspiro[3.5]nonan-3-one

7-oxaspiro[3.5]nonan-3-one (PubChem CID 71744025) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 7-oxaspiro[3.5]nonan-3-one.

Molecular Properties

Compound Name7-oxaspiro[3.5]nonan-3-one
PubChem CID71744025
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name7-oxaspiro[3.5]nonan-3-one
SMILESO=C1CCC12CCOCC2
InChIInChI=1S/C8H12O2/c9-7-1-2-8(7)3-5-10-6-4-8/h1-6H2
InChIKeyGYIZAYLNFPEFBJ-UHFFFAOYSA-N
XLogP1.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-oxaspiro[3.5]nonan-3-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-oxaspiro[3.5]nonan-3-one?
The IUPAC name of 7-oxaspiro[3.5]nonan-3-one (CID 71744025) is 7-oxaspiro[3.5]nonan-3-one.
What is the SMILES notation for 7-oxaspiro[3.5]nonan-3-one?
The canonical SMILES for 7-oxaspiro[3.5]nonan-3-one is O=C1CCC12CCOCC2.
What is the InChIKey of 7-oxaspiro[3.5]nonan-3-one?
The InChIKey is GYIZAYLNFPEFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c9-7-1-2-8(7)3-5-10-6-4-8/h1-6H2.
What are the key properties of 7-oxaspiro[3.5]nonan-3-one?
7-oxaspiro[3.5]nonan-3-one has a molecular weight of 140.18 g/mol, XLogP of 1.15, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxaspiro[3.5]nonan-3-one is sourced from PubChem (CID 71744025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).