4-ethyl-2,3-dimethylhex-2-ene

C10H20 — CID 549716

IUPAC4-ethyl-2,3-dimethylhex-2-ene
SMILESCCC(CC)C(C)=C(C)C
InChIInChI=1S/C10H20/c1-6-10(7-2)9(5)8(3)4/h10H,6-7H2,1-5H3
InChIKeyJWNUYJHDSXAUFW-UHFFFAOYSA-N
MW140.27 g/mol
LogP3.78
Rot. Bonds3

About 4-ethyl-2,3-dimethylhex-2-ene

4-ethyl-2,3-dimethylhex-2-ene (PubChem CID 549716) has the molecular formula C10H20 and a molecular weight of 140.27 g/mol. Its IUPAC name is 4-ethyl-2,3-dimethylhex-2-ene.

Molecular Properties

Compound Name4-ethyl-2,3-dimethylhex-2-ene
PubChem CID549716
Molecular FormulaC10H20
Molecular Weight140.27 g/mol
Exact Mass140.16
IUPAC Name4-ethyl-2,3-dimethylhex-2-ene
SMILESCCC(CC)C(C)=C(C)C
InChIInChI=1S/C10H20/c1-6-10(7-2)9(5)8(3)4/h10H,6-7H2,1-5H3
InChIKeyJWNUYJHDSXAUFW-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.27
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-ethyl-2,3-dimethylhex-2-ene 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 4-ethyl-2,3-dimethylhex-2-ene?
The IUPAC name of 4-ethyl-2,3-dimethylhex-2-ene (CID 549716) is 4-ethyl-2,3-dimethylhex-2-ene.
What is the SMILES notation for 4-ethyl-2,3-dimethylhex-2-ene?
The canonical SMILES for 4-ethyl-2,3-dimethylhex-2-ene is CCC(CC)C(C)=C(C)C.
What is the InChIKey of 4-ethyl-2,3-dimethylhex-2-ene?
The InChIKey is JWNUYJHDSXAUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20/c1-6-10(7-2)9(5)8(3)4/h10H,6-7H2,1-5H3.
What are the key properties of 4-ethyl-2,3-dimethylhex-2-ene?
4-ethyl-2,3-dimethylhex-2-ene has a molecular weight of 140.27 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,3-dimethylhex-2-ene is sourced from PubChem (CID 549716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).