1-ethoxy-2-ethylcyclohexene

C10H18O — CID 67854626

IUPAC1-ethoxy-2-ethylcyclohexene
SMILESCCOC1=C(CC)CCCC1
InChIInChI=1S/C10H18O/c1-3-9-7-5-6-8-10(9)11-4-2/h3-8H2,1-2H3
InChIKeyJHANPAZFWGEUAM-UHFFFAOYSA-N
MW154.25 g/mol
LogP3.26
Rot. Bonds3

About 1-ethoxy-2-ethylcyclohexene

1-ethoxy-2-ethylcyclohexene (PubChem CID 67854626) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 1-ethoxy-2-ethylcyclohexene.

Molecular Properties

Compound Name1-ethoxy-2-ethylcyclohexene
PubChem CID67854626
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name1-ethoxy-2-ethylcyclohexene
SMILESCCOC1=C(CC)CCCC1
InChIInChI=1S/C10H18O/c1-3-9-7-5-6-8-10(9)11-4-2/h3-8H2,1-2H3
InChIKeyJHANPAZFWGEUAM-UHFFFAOYSA-N
XLogP3.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-ethoxy-2-ethylcyclohexene 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 1-ethoxy-2-ethylcyclohexene?
The IUPAC name of 1-ethoxy-2-ethylcyclohexene (CID 67854626) is 1-ethoxy-2-ethylcyclohexene.
What is the SMILES notation for 1-ethoxy-2-ethylcyclohexene?
The canonical SMILES for 1-ethoxy-2-ethylcyclohexene is CCOC1=C(CC)CCCC1.
What is the InChIKey of 1-ethoxy-2-ethylcyclohexene?
The InChIKey is JHANPAZFWGEUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-3-9-7-5-6-8-10(9)11-4-2/h3-8H2,1-2H3.
What are the key properties of 1-ethoxy-2-ethylcyclohexene?
1-ethoxy-2-ethylcyclohexene has a molecular weight of 154.25 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-2-ethylcyclohexene is sourced from PubChem (CID 67854626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).