2-methyl-6-(3-methylbut-2-enyl)cyclohexa-2,5-diene-1,4-dione

C12H14O2 — CID 6480938

IUPAC2-methyl-6-(3-methylbut-2-enyl)cyclohexa-2,5-diene-1,4-dione
SMILESCC(C)=CCC1=CC(=O)C=C(C)C1=O
InChIInChI=1S/C12H14O2/c1-8(2)4-5-10-7-11(13)6-9(3)12(10)14/h4,6-7H,5H2,1-3H3
InChIKeyJYVIPMPFQGQYKW-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.37
Rot. Bonds2

About 2-methyl-6-(3-methylbut-2-enyl)cyclohexa-2,5-diene-1,4-dione

2-methyl-6-(3-methylbut-2-enyl)cyclohexa-2,5-diene-1,4-dione (PubChem CID 6480938) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-methyl-6-(3-methylbut-2-enyl)cyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name2-methyl-6-(3-methylbut-2-enyl)cyclohexa-2,5-diene-1,4-dione
PubChem CID6480938
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name2-methyl-6-(3-methylbut-2-enyl)cyclohexa-2,5-diene-1,4-dione
SMILESCC(C)=CCC1=CC(=O)C=C(C)C1=O
InChIInChI=1S/C12H14O2/c1-8(2)4-5-10-7-11(13)6-9(3)12(10)14/h4,6-7H,5H2,1-3H3
InChIKeyJYVIPMPFQGQYKW-UHFFFAOYSA-N
XLogP2.37
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Thymoquinone
CID 10281
2,5-Dimethyl-4-benzoquinone
CID 8718
Methyl-1,4-benzoquinone
CID 11122
3-Methyl-2-cyclohexen-1-one
CID 14511
3-Methyl-2-cyclopenten-1-one
CID 17691
Piperitenone
CID 381152
2-Octen-4-one
CID 5365891
Germacrone
CID 6436348
Plastoquinone
CID 5375177
2-Hexylidenecyclopentanone
CID 6385721
2,5-Cyclohexadiene-1,4-dione, 2,3,5-trimethyl-
CID 70291
2-Methyl-2-cyclopenten-1-one
CID 14266

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(3-methylbut-2-enyl)cyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 2-methyl-6-(3-methylbut-2-enyl)cyclohexa-2,5-diene-1,4-dione (CID 6480938) is 2-methyl-6-(3-methylbut-2-enyl)cyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 2-methyl-6-(3-methylbut-2-enyl)cyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 2-methyl-6-(3-methylbut-2-enyl)cyclohexa-2,5-diene-1,4-dione is CC(C)=CCC1=CC(=O)C=C(C)C1=O.
What is the InChIKey of 2-methyl-6-(3-methylbut-2-enyl)cyclohexa-2,5-diene-1,4-dione?
The InChIKey is JYVIPMPFQGQYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-8(2)4-5-10-7-11(13)6-9(3)12(10)14/h4,6-7H,5H2,1-3H3.
What are the key properties of 2-methyl-6-(3-methylbut-2-enyl)cyclohexa-2,5-diene-1,4-dione?
2-methyl-6-(3-methylbut-2-enyl)cyclohexa-2,5-diene-1,4-dione has a molecular weight of 190.24 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(3-methylbut-2-enyl)cyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 6480938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).