3,3-dimethylundecane

C13H28 — CID 28470

IUPAC3,3-dimethylundecane
SMILESCCCCCCCCC(C)(C)CC
InChIInChI=1S/C13H28/c1-5-7-8-9-10-11-12-13(3,4)6-2/h5-12H2,1-4H3
InChIKeyOCXNLUFNCUMHLN-UHFFFAOYSA-N
MW184.37 g/mol
LogP5.17
Rot. Bonds8

About 3,3-dimethylundecane

3,3-dimethylundecane (PubChem CID 28470) has the molecular formula C13H28 and a molecular weight of 184.37 g/mol. Its IUPAC name is 3,3-dimethylundecane.

Molecular Properties

Compound Name3,3-dimethylundecane
PubChem CID28470
Molecular FormulaC13H28
Molecular Weight184.37 g/mol
Exact Mass184.22
IUPAC Name3,3-dimethylundecane
SMILESCCCCCCCCC(C)(C)CC
InChIInChI=1S/C13H28/c1-5-7-8-9-10-11-12-13(3,4)6-2/h5-12H2,1-4H3
InChIKeyOCXNLUFNCUMHLN-UHFFFAOYSA-N
XLogP5.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500184.37
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3,3-dimethylundecane 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 3,3-dimethylundecane?
The IUPAC name of 3,3-dimethylundecane (CID 28470) is 3,3-dimethylundecane.
What is the SMILES notation for 3,3-dimethylundecane?
The canonical SMILES for 3,3-dimethylundecane is CCCCCCCCC(C)(C)CC.
What is the InChIKey of 3,3-dimethylundecane?
The InChIKey is OCXNLUFNCUMHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28/c1-5-7-8-9-10-11-12-13(3,4)6-2/h5-12H2,1-4H3.
What are the key properties of 3,3-dimethylundecane?
3,3-dimethylundecane has a molecular weight of 184.37 g/mol, XLogP of 5.17, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethylundecane is sourced from PubChem (CID 28470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).