1,2,4-trimethyl-4-(2-methylpropyl)cyclohexene

C13H24 — CID 142035331

IUPAC1,2,4-trimethyl-4-(2-methylpropyl)cyclohexene
SMILESCC1=C(C)CC(C)(CC(C)C)CC1
InChIInChI=1S/C13H24/c1-10(2)8-13(5)7-6-11(3)12(4)9-13/h10H,6-9H2,1-5H3
InChIKeyQZVLVEVUTLFFMT-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.56
Rot. Bonds2

About 1,2,4-trimethyl-4-(2-methylpropyl)cyclohexene

1,2,4-trimethyl-4-(2-methylpropyl)cyclohexene (PubChem CID 142035331) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 1,2,4-trimethyl-4-(2-methylpropyl)cyclohexene.

Molecular Properties

Compound Name1,2,4-trimethyl-4-(2-methylpropyl)cyclohexene
PubChem CID142035331
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name1,2,4-trimethyl-4-(2-methylpropyl)cyclohexene
SMILESCC1=C(C)CC(C)(CC(C)C)CC1
InChIInChI=1S/C13H24/c1-10(2)8-13(5)7-6-11(3)12(4)9-13/h10H,6-9H2,1-5H3
InChIKeyQZVLVEVUTLFFMT-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.56
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 1,2,4-trimethyl-4-(2-methylpropyl)cyclohexene?
The IUPAC name of 1,2,4-trimethyl-4-(2-methylpropyl)cyclohexene (CID 142035331) is 1,2,4-trimethyl-4-(2-methylpropyl)cyclohexene.
What is the SMILES notation for 1,2,4-trimethyl-4-(2-methylpropyl)cyclohexene?
The canonical SMILES for 1,2,4-trimethyl-4-(2-methylpropyl)cyclohexene is CC1=C(C)CC(C)(CC(C)C)CC1.
What is the InChIKey of 1,2,4-trimethyl-4-(2-methylpropyl)cyclohexene?
The InChIKey is QZVLVEVUTLFFMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-10(2)8-13(5)7-6-11(3)12(4)9-13/h10H,6-9H2,1-5H3.
What are the key properties of 1,2,4-trimethyl-4-(2-methylpropyl)cyclohexene?
1,2,4-trimethyl-4-(2-methylpropyl)cyclohexene has a molecular weight of 180.33 g/mol, XLogP of 4.56, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-trimethyl-4-(2-methylpropyl)cyclohexene is sourced from PubChem (CID 142035331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).