2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione

C10H12O2 — CID 10281

IUPAC2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione
SMILESCC1=CC(=O)C(C(C)C)=CC1=O
InChIInChI=1S/C10H12O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6H,1-3H3
InChIKeyKEQHJBNSCLWCAE-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.67
Rot. Bonds1

About 2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione

2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione (PubChem CID 10281) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione
PubChem CID10281
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione
SMILESCC1=CC(=O)C(C(C)C)=CC1=O
InChIInChI=1S/C10H12O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6H,1-3H3
InChIKeyKEQHJBNSCLWCAE-UHFFFAOYSA-N
XLogP1.67
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.67
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'}

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Related Compounds

Carvone, (+)-
CID 16724
Carvone, (+-)-
CID 7439
Carvone, (-)-
CID 439570
2,5-Dimethyl-4-benzoquinone
CID 8718
2,5-Di-tert-butylbenzoquinone
CID 17161
tert-Butyl-1,4-benzoquinone
CID 19211
5-Methyl-2-hepten-4-one
CID 5362588
2,5-Cyclohexadiene-1,4-dione, 2,3,5-trimethyl-
CID 70291
2,6-Dimethyl-1,4-benzoquinone
CID 68241
2,6-Diisopropylbenzoquinone
CID 642540
2-Tert-butyl-5-methyl-1,4-benzoquinone
CID 825316
2-Cyclohexen-1-one, 2,5,6-trimethyl-
CID 89264

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione (CID 10281) is 2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione is CC1=CC(=O)C(C(C)C)=CC1=O.
What is the InChIKey of 2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione?
The InChIKey is KEQHJBNSCLWCAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-6H,1-3H3.
What are the key properties of 2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione?
2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione has a molecular weight of 164.20 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propan-2-ylcyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 10281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).