4-ethyl-4-methylcyclohexene

C9H16 — CID 19083718

IUPAC4-ethyl-4-methylcyclohexene
SMILESCCC1(C)CC=CCC1
InChIInChI=1S/C9H16/c1-3-9(2)7-5-4-6-8-9/h4-5H,3,6-8H2,1-2H3
InChIKeyRTMAFJOMBKRXCH-UHFFFAOYSA-N
MW124.23 g/mol
LogP3.14
Rot. Bonds1

About 4-ethyl-4-methylcyclohexene

4-ethyl-4-methylcyclohexene (PubChem CID 19083718) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 4-ethyl-4-methylcyclohexene.

Molecular Properties

Compound Name4-ethyl-4-methylcyclohexene
PubChem CID19083718
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name4-ethyl-4-methylcyclohexene
SMILESCCC1(C)CC=CCC1
InChIInChI=1S/C9H16/c1-3-9(2)7-5-4-6-8-9/h4-5H,3,6-8H2,1-2H3
InChIKeyRTMAFJOMBKRXCH-UHFFFAOYSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.14
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 4-ethyl-4-methylcyclohexene?
The IUPAC name of 4-ethyl-4-methylcyclohexene (CID 19083718) is 4-ethyl-4-methylcyclohexene.
What is the SMILES notation for 4-ethyl-4-methylcyclohexene?
The canonical SMILES for 4-ethyl-4-methylcyclohexene is CCC1(C)CC=CCC1.
What is the InChIKey of 4-ethyl-4-methylcyclohexene?
The InChIKey is RTMAFJOMBKRXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-3-9(2)7-5-4-6-8-9/h4-5H,3,6-8H2,1-2H3.
What are the key properties of 4-ethyl-4-methylcyclohexene?
4-ethyl-4-methylcyclohexene has a molecular weight of 124.23 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-methylcyclohexene is sourced from PubChem (CID 19083718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).