11,12-dimethyltricosane

C25H52 — CID 173430605

IUPAC11,12-dimethyltricosane
SMILESCCCCCCCCCCCC(C)C(C)CCCCCCCCCC
InChIInChI=1S/C25H52/c1-5-7-9-11-13-15-17-19-21-23-25(4)24(3)22-20-18-16-14-12-10-8-6-2/h24-25H,5-23H2,1-4H3
InChIKeyKUXXWSACHTUEHB-UHFFFAOYSA-N
MW352.69 g/mol
LogP9.71
Rot. Bonds20

About 11,12-dimethyltricosane

11,12-dimethyltricosane (PubChem CID 173430605) has the molecular formula C25H52 and a molecular weight of 352.69 g/mol. Its IUPAC name is 11,12-dimethyltricosane.

Molecular Properties

Compound Name11,12-dimethyltricosane
PubChem CID173430605
Molecular FormulaC25H52
Molecular Weight352.69 g/mol
Exact Mass352.41
IUPAC Name11,12-dimethyltricosane
SMILESCCCCCCCCCCCC(C)C(C)CCCCCCCCCC
InChIInChI=1S/C25H52/c1-5-7-9-11-13-15-17-19-21-23-25(4)24(3)22-20-18-16-14-12-10-8-6-2/h24-25H,5-23H2,1-4H3
InChIKeyKUXXWSACHTUEHB-UHFFFAOYSA-N
XLogP9.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds20
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.69
LogP ≤ 59.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 11,12-dimethyltricosane 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

16,17-dimethyltritriacontane
CID 91506561
(10S,11S)-10,11-dimethylicosane
CID 14870619
11,12-dimethyloctacosane
CID 23345853
8,9-dimethylhexacosane
CID 160651612
4,5-dimethylnonadecane
CID 123321090
5,6,14,15-tetramethylnonadecane
CID 123473711
2,3,14,15-tetramethylhenicosane
CID 123460288
3,4-dimethyldecane;ethane
CID 170980289
2,3-dimethylnonacosane
CID 71331945
8,11,12-trimethyltricosane
CID 175564994
2,3-dimethylpentadecan-1-amine
CID 81010439
2,4,5-trimethyldodecane
CID 123969029

Frequently Asked Questions

What is the IUPAC name of 11,12-dimethyltricosane?
The IUPAC name of 11,12-dimethyltricosane (CID 173430605) is 11,12-dimethyltricosane.
What is the SMILES notation for 11,12-dimethyltricosane?
The canonical SMILES for 11,12-dimethyltricosane is CCCCCCCCCCCC(C)C(C)CCCCCCCCCC.
What is the InChIKey of 11,12-dimethyltricosane?
The InChIKey is KUXXWSACHTUEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H52/c1-5-7-9-11-13-15-17-19-21-23-25(4)24(3)22-20-18-16-14-12-10-8-6-2/h24-25H,5-23H2,1-4H3.
What are the key properties of 11,12-dimethyltricosane?
11,12-dimethyltricosane has a molecular weight of 352.69 g/mol, XLogP of 9.71, 20 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11,12-dimethyltricosane is sourced from PubChem (CID 173430605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).