1-ethenyl-1,4,4-trimethylcyclohexane

C11H20 — CID 147603404

IUPAC1-ethenyl-1,4,4-trimethylcyclohexane
SMILESC=CC1(C)CCC(C)(C)CC1
InChIInChI=1S/C11H20/c1-5-11(4)8-6-10(2,3)7-9-11/h5H,1,6-9H2,2-4H3
InChIKeyGAOXHNRJZQWWGB-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.78
Rot. Bonds1

About 1-ethenyl-1,4,4-trimethylcyclohexane

1-ethenyl-1,4,4-trimethylcyclohexane (PubChem CID 147603404) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 1-ethenyl-1,4,4-trimethylcyclohexane.

Molecular Properties

Compound Name1-ethenyl-1,4,4-trimethylcyclohexane
PubChem CID147603404
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name1-ethenyl-1,4,4-trimethylcyclohexane
SMILESC=CC1(C)CCC(C)(C)CC1
InChIInChI=1S/C11H20/c1-5-11(4)8-6-10(2,3)7-9-11/h5H,1,6-9H2,2-4H3
InChIKeyGAOXHNRJZQWWGB-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.78
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-ethenyl-1,4,4-trimethylcyclohexane?
The IUPAC name of 1-ethenyl-1,4,4-trimethylcyclohexane (CID 147603404) is 1-ethenyl-1,4,4-trimethylcyclohexane.
What is the SMILES notation for 1-ethenyl-1,4,4-trimethylcyclohexane?
The canonical SMILES for 1-ethenyl-1,4,4-trimethylcyclohexane is C=CC1(C)CCC(C)(C)CC1.
What is the InChIKey of 1-ethenyl-1,4,4-trimethylcyclohexane?
The InChIKey is GAOXHNRJZQWWGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-5-11(4)8-6-10(2,3)7-9-11/h5H,1,6-9H2,2-4H3.
What are the key properties of 1-ethenyl-1,4,4-trimethylcyclohexane?
1-ethenyl-1,4,4-trimethylcyclohexane has a molecular weight of 152.28 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-1,4,4-trimethylcyclohexane is sourced from PubChem (CID 147603404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).