2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-one;methanol

C10H14O2 — CID 143566359

IUPAC2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-one;methanol
SMILESC=C1C=C(C)C(=O)C(C)=C1.CO
InChIInChI=1S/C9H10O.CH4O/c1-6-4-7(2)9(10)8(3)5-6;1-2/h4-5H,1H2,2-3H3;2H,1H3
InChIKeyJVHOZZCWJNDFIJ-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.63
Rot. Bonds

About 2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-one;methanol

2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-one;methanol (PubChem CID 143566359) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-one;methanol.

Molecular Properties

Compound Name2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-one;methanol
PubChem CID143566359
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-one;methanol
SMILESC=C1C=C(C)C(=O)C(C)=C1.CO
InChIInChI=1S/C9H10O.CH4O/c1-6-4-7(2)9(10)8(3)5-6;1-2/h4-5H,1H2,2-3H3;2H,1H3
InChIKeyJVHOZZCWJNDFIJ-UHFFFAOYSA-N
XLogP1.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethyl-6-methylidenecyclohexa-2,4-dien-1-one
CID 10654267
2,6-dimethyl-4-sulfanylidenecyclohexa-2,5-dien-1-one
CID 100937387
2,3,4-trimethyl-6-methylidenecyclohexa-2,4-dien-1-one
CID 130278070
potassium 2,6-dimethyl-4-oxidoiminocyclohexa-2,5-dien-1-one
CID 21236093
4-[5-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)furan-2-ylidene]-2,6-dimethylcyclohexa-2,5-dien-1-one
CID 14924160
2-(2,4-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)-3,5-dimethylcyclohexa-2,5-diene-1,4-dione
CID 58876314
4-[4-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)naphthalen-1-ylidene]-2,6-dimethylcyclohexa-2,5-dien-1-one
CID 18737433
2,7-dimethylcyclohepta-2,6-dien-1-one
CID 130027254
2,6-dimethyl-4-(1-methyl-4-pyridinylidene)cyclohexa-2,5-dien-1-one
CID 11550271
N-(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)benzamide
CID 5089876
2,6-dimethyl-4-phenyliminocyclohexa-2,5-dien-1-one
CID 12612114
(4Z)-4-ethylidene-2-hydroxy-3,6-dimethylcyclohexa-2,5-dien-1-one
CID 177465196

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-one;methanol?
The IUPAC name of 2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-one;methanol (CID 143566359) is 2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-one;methanol.
What is the SMILES notation for 2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-one;methanol?
The canonical SMILES for 2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-one;methanol is C=C1C=C(C)C(=O)C(C)=C1.CO.
What is the InChIKey of 2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-one;methanol?
The InChIKey is JVHOZZCWJNDFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O.CH4O/c1-6-4-7(2)9(10)8(3)5-6;1-2/h4-5H,1H2,2-3H3;2H,1H3.
What are the key properties of 2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-one;methanol?
2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-one;methanol has a molecular weight of 166.22 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-one;methanol is sourced from PubChem (CID 143566359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).