1-ethyl-1,3-dimethylcyclohexane

C10H20 — CID 549959

IUPAC1-ethyl-1,3-dimethylcyclohexane
SMILESCCC1(C)CCCC(C)C1
InChIInChI=1S/C10H20/c1-4-10(3)7-5-6-9(2)8-10/h9H,4-8H2,1-3H3
InChIKeyYLZKVXHQMPWDBJ-UHFFFAOYSA-N
MW140.27 g/mol
LogP3.61
Rot. Bonds1

About 1-ethyl-1,3-dimethylcyclohexane

1-ethyl-1,3-dimethylcyclohexane (PubChem CID 549959) has the molecular formula C10H20 and a molecular weight of 140.27 g/mol. Its IUPAC name is 1-ethyl-1,3-dimethylcyclohexane.

Molecular Properties

Compound Name1-ethyl-1,3-dimethylcyclohexane
PubChem CID549959
Molecular FormulaC10H20
Molecular Weight140.27 g/mol
Exact Mass140.16
IUPAC Name1-ethyl-1,3-dimethylcyclohexane
SMILESCCC1(C)CCCC(C)C1
InChIInChI=1S/C10H20/c1-4-10(3)7-5-6-9(2)8-10/h9H,4-8H2,1-3H3
InChIKeyYLZKVXHQMPWDBJ-UHFFFAOYSA-N
XLogP3.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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-ethyl-1,3-dimethylcyclohexane 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-ethyl-1,3-dimethylcyclohexane?
The IUPAC name of 1-ethyl-1,3-dimethylcyclohexane (CID 549959) is 1-ethyl-1,3-dimethylcyclohexane.
What is the SMILES notation for 1-ethyl-1,3-dimethylcyclohexane?
The canonical SMILES for 1-ethyl-1,3-dimethylcyclohexane is CCC1(C)CCCC(C)C1.
What is the InChIKey of 1-ethyl-1,3-dimethylcyclohexane?
The InChIKey is YLZKVXHQMPWDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20/c1-4-10(3)7-5-6-9(2)8-10/h9H,4-8H2,1-3H3.
What are the key properties of 1-ethyl-1,3-dimethylcyclohexane?
1-ethyl-1,3-dimethylcyclohexane has a molecular weight of 140.27 g/mol, XLogP of 3.61, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1,3-dimethylcyclohexane is sourced from PubChem (CID 549959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).