10-methoxy-4-methylspiro[4.5]deca-3,6,9-triene-2,8-dione

C12H12O3 — CID 14942146

IUPAC10-methoxy-4-methylspiro[4.5]deca-3,6,9-triene-2,8-dione
SMILESCOC1=CC(=O)C=CC12CC(=O)C=C2C
InChIInChI=1S/C12H12O3/c1-8-5-10(14)7-12(8)4-3-9(13)6-11(12)15-2/h3-6H,7H2,1-2H3
InChIKeyLRETZDBOZMSDHI-UHFFFAOYSA-N
MW204.22 g/mol
LogP1.56
Rot. Bonds1

About 10-methoxy-4-methylspiro[4.5]deca-3,6,9-triene-2,8-dione

10-methoxy-4-methylspiro[4.5]deca-3,6,9-triene-2,8-dione (PubChem CID 14942146) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is 10-methoxy-4-methylspiro[4.5]deca-3,6,9-triene-2,8-dione.

Molecular Properties

Compound Name10-methoxy-4-methylspiro[4.5]deca-3,6,9-triene-2,8-dione
PubChem CID14942146
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name10-methoxy-4-methylspiro[4.5]deca-3,6,9-triene-2,8-dione
SMILESCOC1=CC(=O)C=CC12CC(=O)C=C2C
InChIInChI=1S/C12H12O3/c1-8-5-10(14)7-12(8)4-3-9(13)6-11(12)15-2/h3-6H,7H2,1-2H3
InChIKeyLRETZDBOZMSDHI-UHFFFAOYSA-N
XLogP1.56
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Cyclohexen-1-one, 3-methoxy-5,5-dimethyl-
CID 138318
5,6-Epoxy-beta-damascenone
CID 129830404
(6S)-3-methoxy-2,6-dimethyl-6-prop-2-enylcyclohex-2-en-1-one
CID 162416913
10-Methoxy-4-methylspiro[4.5]deca-3,6,9-trien-8-one
CID 166446963
10-Methoxy-4-methylidenespiro[4.5]deca-6,9-dien-8-one
CID 166446964
4-Methylspiro[4.5]deca-3,6,9-triene-2,8-dione
CID 10855984
3-Methoxy-6,6-dimethylcyclohex-2-en-1-one
CID 15738550
7-Oxatricyclo[9.4.0.01,6]pentadeca-3,5,10,12-tetraen-14-one
CID 22015786
4-Ethenyl-6-(methoxymethylidene)-4-methylcyclohex-2-en-1-one
CID 91432362
5,5-Dimethylcyclohex-2-en-1-one;3-methoxy-5,5-dimethylcyclohex-2-en-1-one
CID 158244507
2-Methoxy-5,5-dimethyl-6-methylidenecyclohex-2-en-1-one
CID 164117123
6,10-Dimethoxy-4-methylspiro[4.5]deca-3,6,9-triene-2,8-dione
CID 10955483

Frequently Asked Questions

What is the IUPAC name of 10-methoxy-4-methylspiro[4.5]deca-3,6,9-triene-2,8-dione?
The IUPAC name of 10-methoxy-4-methylspiro[4.5]deca-3,6,9-triene-2,8-dione (CID 14942146) is 10-methoxy-4-methylspiro[4.5]deca-3,6,9-triene-2,8-dione.
What is the SMILES notation for 10-methoxy-4-methylspiro[4.5]deca-3,6,9-triene-2,8-dione?
The canonical SMILES for 10-methoxy-4-methylspiro[4.5]deca-3,6,9-triene-2,8-dione is COC1=CC(=O)C=CC12CC(=O)C=C2C.
What is the InChIKey of 10-methoxy-4-methylspiro[4.5]deca-3,6,9-triene-2,8-dione?
The InChIKey is LRETZDBOZMSDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c1-8-5-10(14)7-12(8)4-3-9(13)6-11(12)15-2/h3-6H,7H2,1-2H3.
What are the key properties of 10-methoxy-4-methylspiro[4.5]deca-3,6,9-triene-2,8-dione?
10-methoxy-4-methylspiro[4.5]deca-3,6,9-triene-2,8-dione has a molecular weight of 204.22 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-4-methylspiro[4.5]deca-3,6,9-triene-2,8-dione is sourced from PubChem (CID 14942146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).