2-ethenyl-1,3,3-trimethylcyclohexene

C11H18 — CID 584957

IUPAC2-ethenyl-1,3,3-trimethylcyclohexene
SMILESC=CC1=C(C)CCCC1(C)C
InChIInChI=1S/C11H18/c1-5-10-9(2)7-6-8-11(10,3)4/h5H,1,6-8H2,2-4H3
InChIKeyLWYKRZJSOCUPJG-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.70
Rot. Bonds1

About 2-ethenyl-1,3,3-trimethylcyclohexene

2-ethenyl-1,3,3-trimethylcyclohexene (PubChem CID 584957) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 2-ethenyl-1,3,3-trimethylcyclohexene.

Molecular Properties

Compound Name2-ethenyl-1,3,3-trimethylcyclohexene
PubChem CID584957
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name2-ethenyl-1,3,3-trimethylcyclohexene
SMILESC=CC1=C(C)CCCC1(C)C
InChIInChI=1S/C11H18/c1-5-10-9(2)7-6-8-11(10,3)4/h5H,1,6-8H2,2-4H3
InChIKeyLWYKRZJSOCUPJG-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-ethenyl-1,3,3-trimethylcyclohexene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1,3,3-trimethylcyclohexene?
The IUPAC name of 2-ethenyl-1,3,3-trimethylcyclohexene (CID 584957) is 2-ethenyl-1,3,3-trimethylcyclohexene.
What is the SMILES notation for 2-ethenyl-1,3,3-trimethylcyclohexene?
The canonical SMILES for 2-ethenyl-1,3,3-trimethylcyclohexene is C=CC1=C(C)CCCC1(C)C.
What is the InChIKey of 2-ethenyl-1,3,3-trimethylcyclohexene?
The InChIKey is LWYKRZJSOCUPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-5-10-9(2)7-6-8-11(10,3)4/h5H,1,6-8H2,2-4H3.
What are the key properties of 2-ethenyl-1,3,3-trimethylcyclohexene?
2-ethenyl-1,3,3-trimethylcyclohexene has a molecular weight of 150.26 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1,3,3-trimethylcyclohexene is sourced from PubChem (CID 584957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).