9-methyl-1,4-dioxaspiro[4.5]dec-6-en-8-one

C9H12O3 — CID 91701092

IUPAC9-methyl-1,4-dioxaspiro[4.5]dec-6-en-8-one
SMILESCC1CC2(C=CC1=O)OCCO2
InChIInChI=1S/C9H12O3/c1-7-6-9(3-2-8(7)10)11-4-5-12-9/h2-3,7H,4-6H2,1H3
InChIKeyDWKOGGZWGFVHBT-UHFFFAOYSA-N
MW168.19 g/mol
LogP0.89
Rot. Bonds

About 9-methyl-1,4-dioxaspiro[4.5]dec-6-en-8-one

9-methyl-1,4-dioxaspiro[4.5]dec-6-en-8-one (PubChem CID 91701092) has the molecular formula C9H12O3 and a molecular weight of 168.19 g/mol. Its IUPAC name is 9-methyl-1,4-dioxaspiro[4.5]dec-6-en-8-one.

Molecular Properties

Compound Name9-methyl-1,4-dioxaspiro[4.5]dec-6-en-8-one
PubChem CID91701092
Molecular FormulaC9H12O3
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name9-methyl-1,4-dioxaspiro[4.5]dec-6-en-8-one
SMILESCC1CC2(C=CC1=O)OCCO2
InChIInChI=1S/C9H12O3/c1-7-6-9(3-2-8(7)10)11-4-5-12-9/h2-3,7H,4-6H2,1H3
InChIKeyDWKOGGZWGFVHBT-UHFFFAOYSA-N
XLogP0.89
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-methyl-1,4-dioxaspiro[4.5]dec-6-en-8-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

1,4-Dioxaspiro[4.5]dec-6-en-8-one
CID 11008131
1,4-Dioxaspiro[4.5]dec-6-en-8-one, 7,9,9-trimethyl-
CID 11769425
2,2,3,3-Tetramethyl-9-(trifluoromethyl)-1,4-dioxaspiro[4.5]dec-6-en-8-one
CID 141351515
(2S,3S)-2,3,7,9,9-pentamethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one
CID 21681548
(3aS,7aR)-2,2,3a-trimethyl-4,7a-dihydro-1,3-benzodioxol-5-one
CID 45378978
(3aR,7aR)-2-methoxy-3,3a,4,7a-tetrahydro-2H-1-benzofuran-5-one
CID 46201275
(5R)-4,4-dimethoxy-5-methylcyclohex-2-en-1-one
CID 101538683
(3aS,7aR)-7a-methyl-3a,4-dihydro-1,3-benzodioxol-5-one
CID 102364651
(2R,3aS,7aR)-7a-methyl-2-propan-2-yl-3a,4-dihydro-1,3-benzodioxol-5-one
CID 102364653
(3aS,7aR)-2,2,7a-trimethyl-3a,4-dihydro-1,3-benzodioxol-5-one
CID 135023804
(2S,3aS,7aR)-7a-methyl-2-propan-2-yl-3a,4-dihydro-1,3-benzodioxol-5-one
CID 135024397
6,6,7,10-Tetramethyl-1,4-dioxaspiro[4.5]dec-9-en-8-one
CID 11117312

Frequently Asked Questions

What is the IUPAC name of 9-methyl-1,4-dioxaspiro[4.5]dec-6-en-8-one?
The IUPAC name of 9-methyl-1,4-dioxaspiro[4.5]dec-6-en-8-one (CID 91701092) is 9-methyl-1,4-dioxaspiro[4.5]dec-6-en-8-one.
What is the SMILES notation for 9-methyl-1,4-dioxaspiro[4.5]dec-6-en-8-one?
The canonical SMILES for 9-methyl-1,4-dioxaspiro[4.5]dec-6-en-8-one is CC1CC2(C=CC1=O)OCCO2.
What is the InChIKey of 9-methyl-1,4-dioxaspiro[4.5]dec-6-en-8-one?
The InChIKey is DWKOGGZWGFVHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O3/c1-7-6-9(3-2-8(7)10)11-4-5-12-9/h2-3,7H,4-6H2,1H3.
What are the key properties of 9-methyl-1,4-dioxaspiro[4.5]dec-6-en-8-one?
9-methyl-1,4-dioxaspiro[4.5]dec-6-en-8-one has a molecular weight of 168.19 g/mol, XLogP of 0.89, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-1,4-dioxaspiro[4.5]dec-6-en-8-one is sourced from PubChem (CID 91701092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).