2,4-dimethyl-4-prop-1-en-2-ylcyclohexa-2,5-dien-1-one

C11H14O — CID 58388155

IUPAC2,4-dimethyl-4-prop-1-en-2-ylcyclohexa-2,5-dien-1-one
SMILESC=C(C)C1(C)C=CC(=O)C(C)=C1
InChIInChI=1S/C11H14O/c1-8(2)11(4)6-5-10(12)9(3)7-11/h5-7H,1H2,2-4H3
InChIKeySJWUUPGOBOUDKS-UHFFFAOYSA-N
MW162.23 g/mol
LogP2.65
Rot. Bonds1

About 2,4-dimethyl-4-prop-1-en-2-ylcyclohexa-2,5-dien-1-one

2,4-dimethyl-4-prop-1-en-2-ylcyclohexa-2,5-dien-1-one (PubChem CID 58388155) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 2,4-dimethyl-4-prop-1-en-2-ylcyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name2,4-dimethyl-4-prop-1-en-2-ylcyclohexa-2,5-dien-1-one
PubChem CID58388155
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name2,4-dimethyl-4-prop-1-en-2-ylcyclohexa-2,5-dien-1-one
SMILESC=C(C)C1(C)C=CC(=O)C(C)=C1
InChIInChI=1S/C11H14O/c1-8(2)11(4)6-5-10(12)9(3)7-11/h5-7H,1H2,2-4H3
InChIKeySJWUUPGOBOUDKS-UHFFFAOYSA-N
XLogP2.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,3-dimethyl-4-oxocyclohexa-2,5-diene-1-carboxamide
CID 58388165
4-methoxy-2-methyl-4-(4-methylphenyl)cyclohexa-2,5-dien-1-one
CID 134874926
4-hydroxy-2-methyl-4-(2-phenylethynyl)cyclohexa-2,5-dien-1-one
CID 14195529
ethyl (2Z)-2-[(5R)-3,3,7-trimethyl-8-oxo-2-azaspiro[4.5]deca-6,9-dien-1-ylidene]acetate
CID 706298
2,4,6-trimethyl-4-(2-methylprop-2-enoxy)cyclohexa-2,5-dien-1-one
CID 102137694
(2Z,4S,6Z,8R,10Z)-4,8-dihydroxy-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one
CID 162928689
(2E,5Z,8Z)-4,7-dibromo-2-hydroxy-4,7-dimethylcyclonona-2,5,8-trien-1-one
CID 143697359
4-hydroperoxy-2,3,4-trimethylcyclohexa-2,5-dien-1-one
CID 150971843
2-methylcyclohexa-2,5-diene-1,4-dione
CID 141014502
(2E,6E,8R,10E)-8-hydroxy-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one
CID 139584287
8-hydroxy-2,6,9,9-tetramethylcycloundeca-2,6,10-trien-1-one
CID 73238363
(1S,3R,4Z,7Z,11R)-3-hydroxy-1,5,9,9-tetramethyl-12-oxabicyclo[9.1.0]dodeca-4,7-dien-6-one
CID 162985160

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-4-prop-1-en-2-ylcyclohexa-2,5-dien-1-one?
The IUPAC name of 2,4-dimethyl-4-prop-1-en-2-ylcyclohexa-2,5-dien-1-one (CID 58388155) is 2,4-dimethyl-4-prop-1-en-2-ylcyclohexa-2,5-dien-1-one.
What is the SMILES notation for 2,4-dimethyl-4-prop-1-en-2-ylcyclohexa-2,5-dien-1-one?
The canonical SMILES for 2,4-dimethyl-4-prop-1-en-2-ylcyclohexa-2,5-dien-1-one is C=C(C)C1(C)C=CC(=O)C(C)=C1.
What is the InChIKey of 2,4-dimethyl-4-prop-1-en-2-ylcyclohexa-2,5-dien-1-one?
The InChIKey is SJWUUPGOBOUDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c1-8(2)11(4)6-5-10(12)9(3)7-11/h5-7H,1H2,2-4H3.
What are the key properties of 2,4-dimethyl-4-prop-1-en-2-ylcyclohexa-2,5-dien-1-one?
2,4-dimethyl-4-prop-1-en-2-ylcyclohexa-2,5-dien-1-one has a molecular weight of 162.23 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-4-prop-1-en-2-ylcyclohexa-2,5-dien-1-one is sourced from PubChem (CID 58388155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).