11-butyl-4,12-dimethylhexacosane

C32H66 — CID 153276658

IUPAC11-butyl-4,12-dimethylhexacosane
SMILESCCCCCCCCCCCCCCC(C)C(CCCC)CCCCCCC(C)CCC
InChIInChI=1S/C32H66/c1-6-9-11-12-13-14-15-16-17-18-19-23-27-31(5)32(28-10-7-2)29-24-21-20-22-26-30(4)25-8-3/h30-32H,6-29H2,1-5H3
InChIKeyBYJZSKNYHZJSAK-UHFFFAOYSA-N
MW450.88 g/mol
LogP12.30
Rot. Bonds26

About 11-butyl-4,12-dimethylhexacosane

11-butyl-4,12-dimethylhexacosane (PubChem CID 153276658) has the molecular formula C32H66 and a molecular weight of 450.88 g/mol. Its IUPAC name is 11-butyl-4,12-dimethylhexacosane.

Molecular Properties

Compound Name11-butyl-4,12-dimethylhexacosane
PubChem CID153276658
Molecular FormulaC32H66
Molecular Weight450.88 g/mol
Exact Mass450.52
IUPAC Name11-butyl-4,12-dimethylhexacosane
SMILESCCCCCCCCCCCCCCC(C)C(CCCC)CCCCCCC(C)CCC
InChIInChI=1S/C32H66/c1-6-9-11-12-13-14-15-16-17-18-19-23-27-31(5)32(28-10-7-2)29-24-21-20-22-26-30(4)25-8-3/h30-32H,6-29H2,1-5H3
InChIKeyBYJZSKNYHZJSAK-UHFFFAOYSA-N
XLogP12.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds26
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.88
LogP ≤ 512.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 11-butyl-4,12-dimethylhexacosane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-butyl-10-methyloctadecane
CID 174796911
11-butyl-12-methyldocosane
CID 151619606
8-methyl-7-pentylhexadecane
CID 123739023
8-butan-2-yl-4-methyltetradecane
CID 123224994
4,9-dimethylpentadecane
CID 123851930
(4R)-4-methyldecane
CID 57191620
4-methyltritriacontane
CID 71346224
(4S)-4-methyltridecane
CID 24884428
4,13-dimethylheptadecane
CID 6430494
(4R)-4-methylpentadecane
CID 98062361
4-methyloctadecane
CID 517866
4,10-dimethyltriacontane
CID 6430425

Frequently Asked Questions

What is the IUPAC name of 11-butyl-4,12-dimethylhexacosane?
The IUPAC name of 11-butyl-4,12-dimethylhexacosane (CID 153276658) is 11-butyl-4,12-dimethylhexacosane.
What is the SMILES notation for 11-butyl-4,12-dimethylhexacosane?
The canonical SMILES for 11-butyl-4,12-dimethylhexacosane is CCCCCCCCCCCCCCC(C)C(CCCC)CCCCCCC(C)CCC.
What is the InChIKey of 11-butyl-4,12-dimethylhexacosane?
The InChIKey is BYJZSKNYHZJSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H66/c1-6-9-11-12-13-14-15-16-17-18-19-23-27-31(5)32(28-10-7-2)29-24-21-20-22-26-30(4)25-8-3/h30-32H,6-29H2,1-5H3.
What are the key properties of 11-butyl-4,12-dimethylhexacosane?
11-butyl-4,12-dimethylhexacosane has a molecular weight of 450.88 g/mol, XLogP of 12.30, 26 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-butyl-4,12-dimethylhexacosane is sourced from PubChem (CID 153276658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).