1,4-diethylcyclohexane

C10H20 — CID 14910

IUPAC1,4-diethylcyclohexane
SMILESCCC1CCC(CC)CC1
InChIInChI=1S/C10H20/c1-3-9-5-7-10(4-2)8-6-9/h9-10H,3-8H2,1-2H3
InChIKeySMAKEJNOUFLEEJ-UHFFFAOYSA-N
MW140.27 g/mol
LogP3.61
Rot. Bonds2

About 1,4-diethylcyclohexane

1,4-diethylcyclohexane (PubChem CID 14910) has the molecular formula C10H20 and a molecular weight of 140.27 g/mol. Its IUPAC name is 1,4-diethylcyclohexane.

Molecular Properties

Compound Name1,4-diethylcyclohexane
PubChem CID14910
Molecular FormulaC10H20
Molecular Weight140.27 g/mol
Exact Mass140.16
IUPAC Name1,4-diethylcyclohexane
SMILESCCC1CCC(CC)CC1
InChIInChI=1S/C10H20/c1-3-9-5-7-10(4-2)8-6-9/h9-10H,3-8H2,1-2H3
InChIKeySMAKEJNOUFLEEJ-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.27
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,4-diethylcyclohexane 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 1,4-diethylcyclohexane?
The IUPAC name of 1,4-diethylcyclohexane (CID 14910) is 1,4-diethylcyclohexane.
What is the SMILES notation for 1,4-diethylcyclohexane?
The canonical SMILES for 1,4-diethylcyclohexane is CCC1CCC(CC)CC1.
What is the InChIKey of 1,4-diethylcyclohexane?
The InChIKey is SMAKEJNOUFLEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20/c1-3-9-5-7-10(4-2)8-6-9/h9-10H,3-8H2,1-2H3.
What are the key properties of 1,4-diethylcyclohexane?
1,4-diethylcyclohexane has a molecular weight of 140.27 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethylcyclohexane is sourced from PubChem (CID 14910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).