2-ethenyl-4-methyl-1-(2-methylprop-1-enyl)cyclohexene

C13H20 — CID 143209894

IUPAC2-ethenyl-4-methyl-1-(2-methylprop-1-enyl)cyclohexene
SMILESC=CC1=C(C=C(C)C)CCC(C)C1
InChIInChI=1S/C13H20/c1-5-12-9-11(4)6-7-13(12)8-10(2)3/h5,8,11H,1,6-7,9H2,2-4H3
InChIKeySAUKTTWHRJQSJN-UHFFFAOYSA-N
MW176.30 g/mol
LogP4.26
Rot. Bonds2

About 2-ethenyl-4-methyl-1-(2-methylprop-1-enyl)cyclohexene

2-ethenyl-4-methyl-1-(2-methylprop-1-enyl)cyclohexene (PubChem CID 143209894) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 2-ethenyl-4-methyl-1-(2-methylprop-1-enyl)cyclohexene.

Molecular Properties

Compound Name2-ethenyl-4-methyl-1-(2-methylprop-1-enyl)cyclohexene
PubChem CID143209894
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name2-ethenyl-4-methyl-1-(2-methylprop-1-enyl)cyclohexene
SMILESC=CC1=C(C=C(C)C)CCC(C)C1
InChIInChI=1S/C13H20/c1-5-12-9-11(4)6-7-13(12)8-10(2)3/h5,8,11H,1,6-7,9H2,2-4H3
InChIKeySAUKTTWHRJQSJN-UHFFFAOYSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4-methyl-1-(2-methylprop-1-enyl)cyclohexene?
The IUPAC name of 2-ethenyl-4-methyl-1-(2-methylprop-1-enyl)cyclohexene (CID 143209894) is 2-ethenyl-4-methyl-1-(2-methylprop-1-enyl)cyclohexene.
What is the SMILES notation for 2-ethenyl-4-methyl-1-(2-methylprop-1-enyl)cyclohexene?
The canonical SMILES for 2-ethenyl-4-methyl-1-(2-methylprop-1-enyl)cyclohexene is C=CC1=C(C=C(C)C)CCC(C)C1.
What is the InChIKey of 2-ethenyl-4-methyl-1-(2-methylprop-1-enyl)cyclohexene?
The InChIKey is SAUKTTWHRJQSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-5-12-9-11(4)6-7-13(12)8-10(2)3/h5,8,11H,1,6-7,9H2,2-4H3.
What are the key properties of 2-ethenyl-4-methyl-1-(2-methylprop-1-enyl)cyclohexene?
2-ethenyl-4-methyl-1-(2-methylprop-1-enyl)cyclohexene has a molecular weight of 176.30 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4-methyl-1-(2-methylprop-1-enyl)cyclohexene is sourced from PubChem (CID 143209894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).