3,3-dimethylspiro[5.6]dodeca-8,10-diene-1,5-dione

C14H18O2 — CID 102347416

IUPAC3,3-dimethylspiro[5.6]dodeca-8,10-diene-1,5-dione
SMILESCC1(C)CC(=O)C2(CC=CC=CC2)C(=O)C1
InChIInChI=1S/C14H18O2/c1-13(2)9-11(15)14(12(16)10-13)7-5-3-4-6-8-14/h3-6H,7-10H2,1-2H3
InChIKeyJMQUSFDARBPEIC-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.84
Rot. Bonds

About 3,3-dimethylspiro[5.6]dodeca-8,10-diene-1,5-dione

3,3-dimethylspiro[5.6]dodeca-8,10-diene-1,5-dione (PubChem CID 102347416) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3,3-dimethylspiro[5.6]dodeca-8,10-diene-1,5-dione.

Molecular Properties

Compound Name3,3-dimethylspiro[5.6]dodeca-8,10-diene-1,5-dione
PubChem CID102347416
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name3,3-dimethylspiro[5.6]dodeca-8,10-diene-1,5-dione
SMILESCC1(C)CC(=O)C2(CC=CC=CC2)C(=O)C1
InChIInChI=1S/C14H18O2/c1-13(2)9-11(15)14(12(16)10-13)7-5-3-4-6-8-14/h3-6H,7-10H2,1-2H3
InChIKeyJMQUSFDARBPEIC-UHFFFAOYSA-N
XLogP2.84
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Dihydrodehydro-beta-ionone
CID 577126
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
2,2-Diallylcyclohexan-1,3-dione
CID 11008759
2-[(2E,4E)-hexa-2,4-dienylidene]-5,5-dimethylcyclohexane-1,3-dione
CID 90666996
5,5-Dimethyl-2-prop-2-enylcyclohexane-1,3-dione
CID 315934
trans-Humul-9(E)-en-2,6-dione
CID 91750067
2,5,5-Trimethyl-2-prop-2-enylcyclohexane-1,3-dione
CID 121015512
(2R)-2-[(E)-but-2-enyl]-2-methylcyclohexan-1-one
CID 12923969
2-Methyl-2-(4-methylpent-3-enyl)cyclohexane-1,3-dione
CID 14705361
5,5-Dimethyl-2-[(9z)-octadec-9-enoyl]cyclo-hexane-1,3-dione
CID 15211975
2-methyl-2-[(2E)-8-oxo-2-nonenyl]cyclohexanone
CID 24977072

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethylspiro[5.6]dodeca-8,10-diene-1,5-dione?
The IUPAC name of 3,3-dimethylspiro[5.6]dodeca-8,10-diene-1,5-dione (CID 102347416) is 3,3-dimethylspiro[5.6]dodeca-8,10-diene-1,5-dione.
What is the SMILES notation for 3,3-dimethylspiro[5.6]dodeca-8,10-diene-1,5-dione?
The canonical SMILES for 3,3-dimethylspiro[5.6]dodeca-8,10-diene-1,5-dione is CC1(C)CC(=O)C2(CC=CC=CC2)C(=O)C1.
What is the InChIKey of 3,3-dimethylspiro[5.6]dodeca-8,10-diene-1,5-dione?
The InChIKey is JMQUSFDARBPEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-13(2)9-11(15)14(12(16)10-13)7-5-3-4-6-8-14/h3-6H,7-10H2,1-2H3.
What are the key properties of 3,3-dimethylspiro[5.6]dodeca-8,10-diene-1,5-dione?
3,3-dimethylspiro[5.6]dodeca-8,10-diene-1,5-dione has a molecular weight of 218.30 g/mol, XLogP of 2.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylspiro[5.6]dodeca-8,10-diene-1,5-dione is sourced from PubChem (CID 102347416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).