(5S)-9,9-dimethyl-6-oxaspiro[4.5]decan-4-one

C11H18O2 — CID 135054954

IUPAC(5S)-9,9-dimethyl-6-oxaspiro[4.5]decan-4-one
SMILESCC1(C)CCO[C@@]2(CCCC2=O)C1
InChIInChI=1S/C11H18O2/c1-10(2)6-7-13-11(8-10)5-3-4-9(11)12/h3-8H2,1-2H3/t11-/m0/s1
InChIKeyURNMZMCVKQXPRO-NSHDSACASA-N
MW182.26 g/mol
LogP2.31
Rot. Bonds

About (5S)-9,9-dimethyl-6-oxaspiro[4.5]decan-4-one

(5S)-9,9-dimethyl-6-oxaspiro[4.5]decan-4-one (PubChem CID 135054954) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (5S)-9,9-dimethyl-6-oxaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name(5S)-9,9-dimethyl-6-oxaspiro[4.5]decan-4-one
PubChem CID135054954
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(5S)-9,9-dimethyl-6-oxaspiro[4.5]decan-4-one
SMILESCC1(C)CCO[C@@]2(CCCC2=O)C1
InChIInChI=1S/C11H18O2/c1-10(2)6-7-13-11(8-10)5-3-4-9(11)12/h3-8H2,1-2H3/t11-/m0/s1
InChIKeyURNMZMCVKQXPRO-NSHDSACASA-N
XLogP2.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5S)-9,9-dimethyl-6-oxaspiro[4.5]decan-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

Frequently Asked Questions

What is the IUPAC name of (5S)-9,9-dimethyl-6-oxaspiro[4.5]decan-4-one?
The IUPAC name of (5S)-9,9-dimethyl-6-oxaspiro[4.5]decan-4-one (CID 135054954) is (5S)-9,9-dimethyl-6-oxaspiro[4.5]decan-4-one.
What is the SMILES notation for (5S)-9,9-dimethyl-6-oxaspiro[4.5]decan-4-one?
The canonical SMILES for (5S)-9,9-dimethyl-6-oxaspiro[4.5]decan-4-one is CC1(C)CCO[C@@]2(CCCC2=O)C1.
What is the InChIKey of (5S)-9,9-dimethyl-6-oxaspiro[4.5]decan-4-one?
The InChIKey is URNMZMCVKQXPRO-NSHDSACASA-N. The full InChI is InChI=1S/C11H18O2/c1-10(2)6-7-13-11(8-10)5-3-4-9(11)12/h3-8H2,1-2H3/t11-/m0/s1.
What are the key properties of (5S)-9,9-dimethyl-6-oxaspiro[4.5]decan-4-one?
(5S)-9,9-dimethyl-6-oxaspiro[4.5]decan-4-one has a molecular weight of 182.26 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9,9-dimethyl-6-oxaspiro[4.5]decan-4-one is sourced from PubChem (CID 135054954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).