8,11,12-trimethyltricosane

C26H54 — CID 175564994

IUPAC8,11,12-trimethyltricosane
SMILESCCCCCCCCCCCC(C)C(C)CCC(C)CCCCCCC
InChIInChI=1S/C26H54/c1-6-8-10-12-13-14-15-17-19-21-25(4)26(5)23-22-24(3)20-18-16-11-9-7-2/h24-26H,6-23H2,1-5H3
InChIKeyQOLRUIZMWNWCDL-UHFFFAOYSA-N
MW366.72 g/mol
LogP9.96
Rot. Bonds20

About 8,11,12-trimethyltricosane

8,11,12-trimethyltricosane (PubChem CID 175564994) has the molecular formula C26H54 and a molecular weight of 366.72 g/mol. Its IUPAC name is 8,11,12-trimethyltricosane.

Molecular Properties

Compound Name8,11,12-trimethyltricosane
PubChem CID175564994
Molecular FormulaC26H54
Molecular Weight366.72 g/mol
Exact Mass366.42
IUPAC Name8,11,12-trimethyltricosane
SMILESCCCCCCCCCCCC(C)C(C)CCC(C)CCCCCCC
InChIInChI=1S/C26H54/c1-6-8-10-12-13-14-15-17-19-21-25(4)26(5)23-22-24(3)20-18-16-11-9-7-2/h24-26H,6-23H2,1-5H3
InChIKeyQOLRUIZMWNWCDL-UHFFFAOYSA-N
XLogP9.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.72
LogP ≤ 59.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 8,11,12-trimethyltricosane 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

9,13,14,17-tetramethyltriacontane
CID 173157426
11,14-dimethylhexacosane
CID 86148083
3,4,7-trimethyldodecane
CID 123406738
5,8,18,24-tetramethylhentriacontane
CID 6430103
11,12-dimethyltricosane
CID 173430605
6-methyloctacosane
CID 22223942
8,9-dimethylhexacosane
CID 160651612
9-methyldocosane
CID 22223822
10,20-dimethyltriacontane
CID 91752048
13-methyldotriacontane
CID 6430396
6-methylheptacosane
CID 22223776
16,17-dimethyltritriacontane
CID 91506561

Frequently Asked Questions

What is the IUPAC name of 8,11,12-trimethyltricosane?
The IUPAC name of 8,11,12-trimethyltricosane (CID 175564994) is 8,11,12-trimethyltricosane.
What is the SMILES notation for 8,11,12-trimethyltricosane?
The canonical SMILES for 8,11,12-trimethyltricosane is CCCCCCCCCCCC(C)C(C)CCC(C)CCCCCCC.
What is the InChIKey of 8,11,12-trimethyltricosane?
The InChIKey is QOLRUIZMWNWCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54/c1-6-8-10-12-13-14-15-17-19-21-25(4)26(5)23-22-24(3)20-18-16-11-9-7-2/h24-26H,6-23H2,1-5H3.
What are the key properties of 8,11,12-trimethyltricosane?
8,11,12-trimethyltricosane has a molecular weight of 366.72 g/mol, XLogP of 9.96, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8,11,12-trimethyltricosane is sourced from PubChem (CID 175564994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).