(5S,9S)-9-methyl-1-oxaspiro[4.5]decane-2,6-dione

C10H14O3 — CID 125463637

IUPAC(5S,9S)-9-methyl-1-oxaspiro[4.5]decane-2,6-dione
SMILESC[C@H]1CCC(=O)[C@]2(CCC(=O)O2)C1
InChIInChI=1S/C10H14O3/c1-7-2-3-8(11)10(6-7)5-4-9(12)13-10/h7H,2-6H2,1H3/t7-,10-/m0/s1
InChIKeyJXJLOMURSFMMRN-XVKPBYJWSA-N
MW182.22 g/mol
LogP1.45
Rot. Bonds

About (5S,9S)-9-methyl-1-oxaspiro[4.5]decane-2,6-dione

(5S,9S)-9-methyl-1-oxaspiro[4.5]decane-2,6-dione (PubChem CID 125463637) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is (5S,9S)-9-methyl-1-oxaspiro[4.5]decane-2,6-dione.

Molecular Properties

Compound Name(5S,9S)-9-methyl-1-oxaspiro[4.5]decane-2,6-dione
PubChem CID125463637
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name(5S,9S)-9-methyl-1-oxaspiro[4.5]decane-2,6-dione
SMILESC[C@H]1CCC(=O)[C@]2(CCC(=O)O2)C1
InChIInChI=1S/C10H14O3/c1-7-2-3-8(11)10(6-7)5-4-9(12)13-10/h7H,2-6H2,1H3/t7-,10-/m0/s1
InChIKeyJXJLOMURSFMMRN-XVKPBYJWSA-N
XLogP1.45
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5S,9S)-9-methyl-1-oxaspiro[4.5]decane-2,6-dione 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

(6S,8S)-8-methyl-1-oxaspiro[5.5]undecan-11-one
CID 125454730
5,9,9-trimethyloxonan-2-one
CID 11148110
9-hydroxy-7-methyl-1-oxaspiro[4.4]nonan-2-one
CID 122470158
(6S,8R,11S)-8-methyl-11-propan-2-yl-1-oxaspiro[5.5]undecan-2-one
CID 45097864
(5R,9S)-4-methoxy-9-methyl-1-oxaspiro[4.5]dec-3-ene-2,6-dione
CID 135041003
5,6,6-trimethyloxan-2-one
CID 20872380
(1S,3R,6R)-7,7-dimethylspiro[bicyclo[4.1.0]heptane-3,5'-oxolane]-2'-one
CID 101200321
CID 155930091
CID 155930091
9-methyl-1,5-dioxaspiro[5.5]undecane-2,4-dione
CID 143148723
5-iodo-5-methyloxolan-2-one
CID 129281770
(3S)-1,7-dioxa-2-thiaspiro[2.4]heptan-6-one
CID 176528836
(1S,4R)-spiro[bicyclo[2.2.1]hept-2-ene-7,5'-oxolane]-2'-one
CID 10773325

Frequently Asked Questions

What is the IUPAC name of (5S,9S)-9-methyl-1-oxaspiro[4.5]decane-2,6-dione?
The IUPAC name of (5S,9S)-9-methyl-1-oxaspiro[4.5]decane-2,6-dione (CID 125463637) is (5S,9S)-9-methyl-1-oxaspiro[4.5]decane-2,6-dione.
What is the SMILES notation for (5S,9S)-9-methyl-1-oxaspiro[4.5]decane-2,6-dione?
The canonical SMILES for (5S,9S)-9-methyl-1-oxaspiro[4.5]decane-2,6-dione is C[C@H]1CCC(=O)[C@]2(CCC(=O)O2)C1.
What is the InChIKey of (5S,9S)-9-methyl-1-oxaspiro[4.5]decane-2,6-dione?
The InChIKey is JXJLOMURSFMMRN-XVKPBYJWSA-N. The full InChI is InChI=1S/C10H14O3/c1-7-2-3-8(11)10(6-7)5-4-9(12)13-10/h7H,2-6H2,1H3/t7-,10-/m0/s1.
What are the key properties of (5S,9S)-9-methyl-1-oxaspiro[4.5]decane-2,6-dione?
(5S,9S)-9-methyl-1-oxaspiro[4.5]decane-2,6-dione has a molecular weight of 182.22 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9S)-9-methyl-1-oxaspiro[4.5]decane-2,6-dione is sourced from PubChem (CID 125463637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).