1-ethyl-3,3-dimethylcyclohexene

C10H18 — CID 142138224

IUPAC1-ethyl-3,3-dimethylcyclohexene
SMILESCCC1=CC(C)(C)CCC1
InChIInChI=1S/C10H18/c1-4-9-6-5-7-10(2,3)8-9/h8H,4-7H2,1-3H3
InChIKeyIOLLNOZNCYFHBD-UHFFFAOYSA-N
MW138.25 g/mol
LogP3.53
Rot. Bonds1

About 1-ethyl-3,3-dimethylcyclohexene

1-ethyl-3,3-dimethylcyclohexene (PubChem CID 142138224) has the molecular formula C10H18 and a molecular weight of 138.25 g/mol. Its IUPAC name is 1-ethyl-3,3-dimethylcyclohexene.

Molecular Properties

Compound Name1-ethyl-3,3-dimethylcyclohexene
PubChem CID142138224
Molecular FormulaC10H18
Molecular Weight138.25 g/mol
Exact Mass138.14
IUPAC Name1-ethyl-3,3-dimethylcyclohexene
SMILESCCC1=CC(C)(C)CCC1
InChIInChI=1S/C10H18/c1-4-9-6-5-7-10(2,3)8-9/h8H,4-7H2,1-3H3
InChIKeyIOLLNOZNCYFHBD-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.25
LogP ≤ 53.53
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-ethyl-3,3-dimethylcyclohexene?
The IUPAC name of 1-ethyl-3,3-dimethylcyclohexene (CID 142138224) is 1-ethyl-3,3-dimethylcyclohexene.
What is the SMILES notation for 1-ethyl-3,3-dimethylcyclohexene?
The canonical SMILES for 1-ethyl-3,3-dimethylcyclohexene is CCC1=CC(C)(C)CCC1.
What is the InChIKey of 1-ethyl-3,3-dimethylcyclohexene?
The InChIKey is IOLLNOZNCYFHBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-4-9-6-5-7-10(2,3)8-9/h8H,4-7H2,1-3H3.
What are the key properties of 1-ethyl-3,3-dimethylcyclohexene?
1-ethyl-3,3-dimethylcyclohexene has a molecular weight of 138.25 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,3-dimethylcyclohexene is sourced from PubChem (CID 142138224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).