2,2,8-trimethylnon-4-ene

C12H24 — CID 54212289

IUPAC2,2,8-trimethylnon-4-ene
SMILESCC(C)CCC=CCC(C)(C)C
InChIInChI=1S/C12H24/c1-11(2)9-7-6-8-10-12(3,4)5/h6,8,11H,7,9-10H2,1-5H3
InChIKeyQFZKHJONUMDKOT-UHFFFAOYSA-N
MW168.32 g/mol
LogP4.41
Rot. Bonds4

About 2,2,8-trimethylnon-4-ene

2,2,8-trimethylnon-4-ene (PubChem CID 54212289) has the molecular formula C12H24 and a molecular weight of 168.32 g/mol. Its IUPAC name is 2,2,8-trimethylnon-4-ene.

Molecular Properties

Compound Name2,2,8-trimethylnon-4-ene
PubChem CID54212289
Molecular FormulaC12H24
Molecular Weight168.32 g/mol
Exact Mass168.19
IUPAC Name2,2,8-trimethylnon-4-ene
SMILESCC(C)CCC=CCC(C)(C)C
InChIInChI=1S/C12H24/c1-11(2)9-7-6-8-10-12(3,4)5/h6,8,11H,7,9-10H2,1-5H3
InChIKeyQFZKHJONUMDKOT-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.32
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,2,8-trimethylnon-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 2,2,8-trimethylnon-4-ene?
The IUPAC name of 2,2,8-trimethylnon-4-ene (CID 54212289) is 2,2,8-trimethylnon-4-ene.
What is the SMILES notation for 2,2,8-trimethylnon-4-ene?
The canonical SMILES for 2,2,8-trimethylnon-4-ene is CC(C)CCC=CCC(C)(C)C.
What is the InChIKey of 2,2,8-trimethylnon-4-ene?
The InChIKey is QFZKHJONUMDKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24/c1-11(2)9-7-6-8-10-12(3,4)5/h6,8,11H,7,9-10H2,1-5H3.
What are the key properties of 2,2,8-trimethylnon-4-ene?
2,2,8-trimethylnon-4-ene has a molecular weight of 168.32 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,8-trimethylnon-4-ene is sourced from PubChem (CID 54212289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).