1-(1,3-dimethylcyclohex-2-en-1-yl)-4-methylbenzene

C15H20 — CID 11637023

IUPAC1-(1,3-dimethylcyclohex-2-en-1-yl)-4-methylbenzene
SMILESCC1=CC(C)(c2ccc(C)cc2)CCC1
InChIInChI=1S/C15H20/c1-12-6-8-14(9-7-12)15(3)10-4-5-13(2)11-15/h6-9,11H,4-5,10H2,1-3H3
InChIKeyPXSPBJRQKOJOTF-UHFFFAOYSA-N
MW200.32 g/mol
LogP4.38
Rot. Bonds1

About 1-(1,3-dimethylcyclohex-2-en-1-yl)-4-methylbenzene

1-(1,3-dimethylcyclohex-2-en-1-yl)-4-methylbenzene (PubChem CID 11637023) has the molecular formula C15H20 and a molecular weight of 200.32 g/mol. Its IUPAC name is 1-(1,3-dimethylcyclohex-2-en-1-yl)-4-methylbenzene.

Molecular Properties

Compound Name1-(1,3-dimethylcyclohex-2-en-1-yl)-4-methylbenzene
PubChem CID11637023
Molecular FormulaC15H20
Molecular Weight200.32 g/mol
Exact Mass200.16
IUPAC Name1-(1,3-dimethylcyclohex-2-en-1-yl)-4-methylbenzene
SMILESCC1=CC(C)(c2ccc(C)cc2)CCC1
InChIInChI=1S/C15H20/c1-12-6-8-14(9-7-12)15(3)10-4-5-13(2)11-15/h6-9,11H,4-5,10H2,1-3H3
InChIKeyPXSPBJRQKOJOTF-UHFFFAOYSA-N
XLogP4.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 54.38
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

7-methylspiro[2.5]oct-7-ene
CID 86647583
(1S,6S)-1,6-bis(4-methylphenyl)bicyclo[4.2.0]octane
CID 15247724
ethane;1-methyl-4-[1-(4-methylphenyl)cyclopentyl]benzene
CID 123671518
1,3-dimethylcyclohex-2-ene-1-carbonitrile
CID 13202021
1-methyl-4-(1,4,4-trimethylcyclohexyl)benzene
CID 140825666
(4aS,8aR)-4a,6-dimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-one
CID 11535664
1-(4-methylphenyl)cyclobutane-1-carboxylic acid
CID 23295038
1-(4-methylphenyl)cyclopentan-1-amine;hydrochloride
CID 45380293
ethane;1-(4-methylphenyl)cyclobutan-1-amine
CID 169135941
N,N-dimethyl-1-[1-(4-methylphenyl)cyclobutyl]methanamine
CID 59020082
2-methyl-2-(4-methylphenyl)oxane
CID 132966146
N,N-dimethyl-1-[1-(4-methylphenyl)cyclopentyl]methanamine
CID 21365310

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylcyclohex-2-en-1-yl)-4-methylbenzene?
The IUPAC name of 1-(1,3-dimethylcyclohex-2-en-1-yl)-4-methylbenzene (CID 11637023) is 1-(1,3-dimethylcyclohex-2-en-1-yl)-4-methylbenzene.
What is the SMILES notation for 1-(1,3-dimethylcyclohex-2-en-1-yl)-4-methylbenzene?
The canonical SMILES for 1-(1,3-dimethylcyclohex-2-en-1-yl)-4-methylbenzene is CC1=CC(C)(c2ccc(C)cc2)CCC1.
What is the InChIKey of 1-(1,3-dimethylcyclohex-2-en-1-yl)-4-methylbenzene?
The InChIKey is PXSPBJRQKOJOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20/c1-12-6-8-14(9-7-12)15(3)10-4-5-13(2)11-15/h6-9,11H,4-5,10H2,1-3H3.
What are the key properties of 1-(1,3-dimethylcyclohex-2-en-1-yl)-4-methylbenzene?
1-(1,3-dimethylcyclohex-2-en-1-yl)-4-methylbenzene has a molecular weight of 200.32 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylcyclohex-2-en-1-yl)-4-methylbenzene is sourced from PubChem (CID 11637023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).