1-ethenyl-5-methylcyclohexene

C9H14 — CID 13382650

IUPAC1-ethenyl-5-methylcyclohexene
SMILESC=CC1=CCCC(C)C1
InChIInChI=1S/C9H14/c1-3-9-6-4-5-8(2)7-9/h3,6,8H,1,4-5,7H2,2H3
InChIKeyLEDOAJAPGDZGEQ-UHFFFAOYSA-N
MW122.21 g/mol
LogP2.92
Rot. Bonds1

About 1-ethenyl-5-methylcyclohexene

1-ethenyl-5-methylcyclohexene (PubChem CID 13382650) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 1-ethenyl-5-methylcyclohexene.

Molecular Properties

Compound Name1-ethenyl-5-methylcyclohexene
PubChem CID13382650
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name1-ethenyl-5-methylcyclohexene
SMILESC=CC1=CCCC(C)C1
InChIInChI=1S/C9H14/c1-3-9-6-4-5-8(2)7-9/h3,6,8H,1,4-5,7H2,2H3
InChIKeyLEDOAJAPGDZGEQ-UHFFFAOYSA-N
XLogP2.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-5-methylcyclohexene?
The IUPAC name of 1-ethenyl-5-methylcyclohexene (CID 13382650) is 1-ethenyl-5-methylcyclohexene.
What is the SMILES notation for 1-ethenyl-5-methylcyclohexene?
The canonical SMILES for 1-ethenyl-5-methylcyclohexene is C=CC1=CCCC(C)C1.
What is the InChIKey of 1-ethenyl-5-methylcyclohexene?
The InChIKey is LEDOAJAPGDZGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-3-9-6-4-5-8(2)7-9/h3,6,8H,1,4-5,7H2,2H3.
What are the key properties of 1-ethenyl-5-methylcyclohexene?
1-ethenyl-5-methylcyclohexene has a molecular weight of 122.21 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-5-methylcyclohexene is sourced from PubChem (CID 13382650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).