8,8-dimethylspiro[4.5]dec-2-ene-6,10-dione

C12H16O2 — CID 10899472

IUPAC8,8-dimethylspiro[4.5]dec-2-ene-6,10-dione
SMILESCC1(C)CC(=O)C2(CC=CC2)C(=O)C1
InChIInChI=1S/C12H16O2/c1-11(2)7-9(13)12(10(14)8-11)5-3-4-6-12/h3-4H,5-8H2,1-2H3
InChIKeyHMWOWLABXDOENQ-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.28
Rot. Bonds

About 8,8-dimethylspiro[4.5]dec-2-ene-6,10-dione

8,8-dimethylspiro[4.5]dec-2-ene-6,10-dione (PubChem CID 10899472) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 8,8-dimethylspiro[4.5]dec-2-ene-6,10-dione.

Molecular Properties

Compound Name8,8-dimethylspiro[4.5]dec-2-ene-6,10-dione
PubChem CID10899472
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name8,8-dimethylspiro[4.5]dec-2-ene-6,10-dione
SMILESCC1(C)CC(=O)C2(CC=CC2)C(=O)C1
InChIInChI=1S/C12H16O2/c1-11(2)7-9(13)12(10(14)8-11)5-3-4-6-12/h3-4H,5-8H2,1-2H3
InChIKeyHMWOWLABXDOENQ-UHFFFAOYSA-N
XLogP2.28
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 8,8-dimethylspiro[4.5]dec-2-ene-6,10-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

3-Oxo-beta-damascone
CID 15624536
2-Oleoyl-1,3-cyclohexanedione
CID 13964262
2-Octadec-9-enoylcyclohexane-1,3-dione
CID 54397682
2,2-Diallylcyclohexan-1,3-dione
CID 11008759
5,5-Dimethyl-2,2-bis(prop-2-enyl)cyclohexane-1,3-dione
CID 11138651
1,3-Cyclohexanedione, 2-methyl-2-(2-propenyl)-
CID 11789577
Spiro[4.5]dec-2-en-10-one
CID 12923984
5,5-Dimethyl-4-(prop-2-en-1-yl)cyclohexane-1,3-dione
CID 13614744
3-methyl-3-[(Z)-prop-1-enyl]cyclohexan-1-one
CID 68131753
3,3,8a-trimethyl-3,4,8,8a-tetrahydronaphthalene-1,6(2H,7H)-dione
CID 290964
2-[(E)-1,1-difluorodec-2-en-4-yl]-5,5-dimethylcyclohexane-1,3-dione
CID 176437755
3-Methyl-3-(4-methyl-3-penten-1-yl)cyclohexanone
CID 10512036

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethylspiro[4.5]dec-2-ene-6,10-dione?
The IUPAC name of 8,8-dimethylspiro[4.5]dec-2-ene-6,10-dione (CID 10899472) is 8,8-dimethylspiro[4.5]dec-2-ene-6,10-dione.
What is the SMILES notation for 8,8-dimethylspiro[4.5]dec-2-ene-6,10-dione?
The canonical SMILES for 8,8-dimethylspiro[4.5]dec-2-ene-6,10-dione is CC1(C)CC(=O)C2(CC=CC2)C(=O)C1.
What is the InChIKey of 8,8-dimethylspiro[4.5]dec-2-ene-6,10-dione?
The InChIKey is HMWOWLABXDOENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-11(2)7-9(13)12(10(14)8-11)5-3-4-6-12/h3-4H,5-8H2,1-2H3.
What are the key properties of 8,8-dimethylspiro[4.5]dec-2-ene-6,10-dione?
8,8-dimethylspiro[4.5]dec-2-ene-6,10-dione has a molecular weight of 192.26 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethylspiro[4.5]dec-2-ene-6,10-dione is sourced from PubChem (CID 10899472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).