1-(3,4-dimethylcyclohex-3-en-1-yl)-4-methylbenzene

C15H20 — CID 151968969

IUPAC1-(3,4-dimethylcyclohex-3-en-1-yl)-4-methylbenzene
SMILESCC1=C(C)CC(c2ccc(C)cc2)CC1
InChIInChI=1S/C15H20/c1-11-4-7-14(8-5-11)15-9-6-12(2)13(3)10-15/h4-5,7-8,15H,6,9-10H2,1-3H3
InChIKeyUAGJXAWFLJDZBS-UHFFFAOYSA-N
MW200.33 g/mol
LogP4.60
Rot. Bonds1

About 1-(3,4-dimethylcyclohex-3-en-1-yl)-4-methylbenzene

1-(3,4-dimethylcyclohex-3-en-1-yl)-4-methylbenzene (PubChem CID 151968969) has the molecular formula C15H20 and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohex-3-en-1-yl)-4-methylbenzene.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohex-3-en-1-yl)-4-methylbenzene
PubChem CID151968969
Molecular FormulaC15H20
Molecular Weight200.33 g/mol
Exact Mass200.16
IUPAC Name1-(3,4-dimethylcyclohex-3-en-1-yl)-4-methylbenzene
SMILESCC1=C(C)CC(c2ccc(C)cc2)CC1
InChIInChI=1S/C15H20/c1-11-4-7-14(8-5-11)15-9-6-12(2)13(3)10-15/h4-5,7-8,15H,6,9-10H2,1-3H3
InChIKeyUAGJXAWFLJDZBS-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 59940181
CID 59940181
3-(4-hydroxyphenyl)cyclopentan-1-one;3-(4-methylphenyl)cyclopentan-1-one
CID 167708371
1-cyclopropyl-4-methylbenzene;ethane;methane
CID 164862835
1-cyclopropyl-4-methylbenzene;methanol
CID 143290478
1-methyl-4-[4-[4-(4-methylphenyl)cyclohexyl]phenyl]benzene
CID 59265320
CID 59940166
CID 59940166
5,6-difluoro-2-(4-methylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139848451
CID 59940176
CID 59940176
6-(4-methylphenyl)-4,5,6,7-tetrahydro-2,1-benzoxazol-3-amine
CID 139771190
6-(4-fluorophenyl)-2-(4-methylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139852847
4-(4-methylphenyl)oxane
CID 46222621
1-cyclohexyl-4-(4-methylphenyl)benzene
CID 54213441

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohex-3-en-1-yl)-4-methylbenzene?
The IUPAC name of 1-(3,4-dimethylcyclohex-3-en-1-yl)-4-methylbenzene (CID 151968969) is 1-(3,4-dimethylcyclohex-3-en-1-yl)-4-methylbenzene.
What is the SMILES notation for 1-(3,4-dimethylcyclohex-3-en-1-yl)-4-methylbenzene?
The canonical SMILES for 1-(3,4-dimethylcyclohex-3-en-1-yl)-4-methylbenzene is CC1=C(C)CC(c2ccc(C)cc2)CC1.
What is the InChIKey of 1-(3,4-dimethylcyclohex-3-en-1-yl)-4-methylbenzene?
The InChIKey is UAGJXAWFLJDZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20/c1-11-4-7-14(8-5-11)15-9-6-12(2)13(3)10-15/h4-5,7-8,15H,6,9-10H2,1-3H3.
What are the key properties of 1-(3,4-dimethylcyclohex-3-en-1-yl)-4-methylbenzene?
1-(3,4-dimethylcyclohex-3-en-1-yl)-4-methylbenzene has a molecular weight of 200.33 g/mol, XLogP of 4.60, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohex-3-en-1-yl)-4-methylbenzene is sourced from PubChem (CID 151968969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).