(5S)-2,2-dimethyl-1-oxaspiro[4.4]nonan-9-one

C10H16O2 — CID 130983152

IUPAC(5S)-2,2-dimethyl-1-oxaspiro[4.4]nonan-9-one
SMILESCC1(C)CC[C@]2(CCCC2=O)O1
InChIInChI=1S/C10H16O2/c1-9(2)6-7-10(12-9)5-3-4-8(10)11/h3-7H2,1-2H3/t10-/m0/s1
InChIKeyQRHNBAJGAFXFOW-JTQLQIEISA-N
MW168.24 g/mol
LogP2.07
Rot. Bonds

About (5S)-2,2-dimethyl-1-oxaspiro[4.4]nonan-9-one

(5S)-2,2-dimethyl-1-oxaspiro[4.4]nonan-9-one (PubChem CID 130983152) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (5S)-2,2-dimethyl-1-oxaspiro[4.4]nonan-9-one.

Molecular Properties

Compound Name(5S)-2,2-dimethyl-1-oxaspiro[4.4]nonan-9-one
PubChem CID130983152
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(5S)-2,2-dimethyl-1-oxaspiro[4.4]nonan-9-one
SMILESCC1(C)CC[C@]2(CCCC2=O)O1
InChIInChI=1S/C10H16O2/c1-9(2)6-7-10(12-9)5-3-4-8(10)11/h3-7H2,1-2H3/t10-/m0/s1
InChIKeyQRHNBAJGAFXFOW-JTQLQIEISA-N
XLogP2.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5S)-2,2-dimethyl-1-oxaspiro[4.4]nonan-9-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 (5S)-2,2-dimethyl-1-oxaspiro[4.4]nonan-9-one?
The IUPAC name of (5S)-2,2-dimethyl-1-oxaspiro[4.4]nonan-9-one (CID 130983152) is (5S)-2,2-dimethyl-1-oxaspiro[4.4]nonan-9-one.
What is the SMILES notation for (5S)-2,2-dimethyl-1-oxaspiro[4.4]nonan-9-one?
The canonical SMILES for (5S)-2,2-dimethyl-1-oxaspiro[4.4]nonan-9-one is CC1(C)CC[C@]2(CCCC2=O)O1.
What is the InChIKey of (5S)-2,2-dimethyl-1-oxaspiro[4.4]nonan-9-one?
The InChIKey is QRHNBAJGAFXFOW-JTQLQIEISA-N. The full InChI is InChI=1S/C10H16O2/c1-9(2)6-7-10(12-9)5-3-4-8(10)11/h3-7H2,1-2H3/t10-/m0/s1.
What are the key properties of (5S)-2,2-dimethyl-1-oxaspiro[4.4]nonan-9-one?
(5S)-2,2-dimethyl-1-oxaspiro[4.4]nonan-9-one has a molecular weight of 168.24 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2,2-dimethyl-1-oxaspiro[4.4]nonan-9-one is sourced from PubChem (CID 130983152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).