1-methyl-3-(4-methylcyclohex-3-en-1-yl)benzene

C14H18 — CID 57030513

IUPAC1-methyl-3-(4-methylcyclohex-3-en-1-yl)benzene
SMILESCC1=CCC(c2cccc(C)c2)CC1
InChIInChI=1S/C14H18/c1-11-6-8-13(9-7-11)14-5-3-4-12(2)10-14/h3-6,10,13H,7-9H2,1-2H3
InChIKeyUWVLKLMPZLTAPI-UHFFFAOYSA-N
MW186.30 g/mol
LogP4.21
Rot. Bonds1

About 1-methyl-3-(4-methylcyclohex-3-en-1-yl)benzene

1-methyl-3-(4-methylcyclohex-3-en-1-yl)benzene (PubChem CID 57030513) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-methyl-3-(4-methylcyclohex-3-en-1-yl)benzene.

Molecular Properties

Compound Name1-methyl-3-(4-methylcyclohex-3-en-1-yl)benzene
PubChem CID57030513
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name1-methyl-3-(4-methylcyclohex-3-en-1-yl)benzene
SMILESCC1=CCC(c2cccc(C)c2)CC1
InChIInChI=1S/C14H18/c1-11-6-8-13(9-7-11)14-5-3-4-12(2)10-14/h3-6,10,13H,7-9H2,1-2H3
InChIKeyUWVLKLMPZLTAPI-UHFFFAOYSA-N
XLogP4.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-methylcyclohex-3-en-1-yl)benzene?
The IUPAC name of 1-methyl-3-(4-methylcyclohex-3-en-1-yl)benzene (CID 57030513) is 1-methyl-3-(4-methylcyclohex-3-en-1-yl)benzene.
What is the SMILES notation for 1-methyl-3-(4-methylcyclohex-3-en-1-yl)benzene?
The canonical SMILES for 1-methyl-3-(4-methylcyclohex-3-en-1-yl)benzene is CC1=CCC(c2cccc(C)c2)CC1.
What is the InChIKey of 1-methyl-3-(4-methylcyclohex-3-en-1-yl)benzene?
The InChIKey is UWVLKLMPZLTAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18/c1-11-6-8-13(9-7-11)14-5-3-4-12(2)10-14/h3-6,10,13H,7-9H2,1-2H3.
What are the key properties of 1-methyl-3-(4-methylcyclohex-3-en-1-yl)benzene?
1-methyl-3-(4-methylcyclohex-3-en-1-yl)benzene has a molecular weight of 186.30 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-methylcyclohex-3-en-1-yl)benzene is sourced from PubChem (CID 57030513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).