3,6-dimethyloct-4-ene

C10H20 — CID 73165576

IUPAC3,6-dimethyloct-4-ene
SMILESCCC(C)C=CC(C)CC
InChIInChI=1S/C10H20/c1-5-9(3)7-8-10(4)6-2/h7-10H,5-6H2,1-4H3
InChIKeyRTTAWJNZBSQBLU-UHFFFAOYSA-N
MW140.27 g/mol
LogP3.63
Rot. Bonds4

About 3,6-dimethyloct-4-ene

3,6-dimethyloct-4-ene (PubChem CID 73165576) has the molecular formula C10H20 and a molecular weight of 140.27 g/mol. Its IUPAC name is 3,6-dimethyloct-4-ene.

Molecular Properties

Compound Name3,6-dimethyloct-4-ene
PubChem CID73165576
Molecular FormulaC10H20
Molecular Weight140.27 g/mol
Exact Mass140.16
IUPAC Name3,6-dimethyloct-4-ene
SMILESCCC(C)C=CC(C)CC
InChIInChI=1S/C10H20/c1-5-9(3)7-8-10(4)6-2/h7-10H,5-6H2,1-4H3
InChIKeyRTTAWJNZBSQBLU-UHFFFAOYSA-N
XLogP3.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.27
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3,6-dimethyloct-4-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 3,6-dimethyloct-4-ene?
The IUPAC name of 3,6-dimethyloct-4-ene (CID 73165576) is 3,6-dimethyloct-4-ene.
What is the SMILES notation for 3,6-dimethyloct-4-ene?
The canonical SMILES for 3,6-dimethyloct-4-ene is CCC(C)C=CC(C)CC.
What is the InChIKey of 3,6-dimethyloct-4-ene?
The InChIKey is RTTAWJNZBSQBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20/c1-5-9(3)7-8-10(4)6-2/h7-10H,5-6H2,1-4H3.
What are the key properties of 3,6-dimethyloct-4-ene?
3,6-dimethyloct-4-ene has a molecular weight of 140.27 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyloct-4-ene is sourced from PubChem (CID 73165576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).