15,19,23,27-tetramethyldotriacontanenitrile

C36H71N — CID 527343

IUPAC15,19,23,27-tetramethyldotriacontanenitrile
SMILESCCCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCCCCCCCCCCCC#N
InChIInChI=1S/C36H71N/c1-6-7-18-24-33(2)26-21-28-35(4)30-23-31-36(5)29-22-27-34(3)25-19-16-14-12-10-8-9-11-13-15-17-20-32-37/h33-36H,6-31H2,1-5H3
InChIKeyMHQFPPBLKBJQCX-UHFFFAOYSA-N
MW517.97 g/mol
LogP13.22
Rot. Bonds29

About 15,19,23,27-tetramethyldotriacontanenitrile

15,19,23,27-tetramethyldotriacontanenitrile (PubChem CID 527343) has the molecular formula C36H71N and a molecular weight of 517.97 g/mol. Its IUPAC name is 15,19,23,27-tetramethyldotriacontanenitrile.

Molecular Properties

Compound Name15,19,23,27-tetramethyldotriacontanenitrile
PubChem CID527343
Molecular FormulaC36H71N
Molecular Weight517.97 g/mol
Exact Mass517.56
IUPAC Name15,19,23,27-tetramethyldotriacontanenitrile
SMILESCCCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCCCCCCCCCCCC#N
InChIInChI=1S/C36H71N/c1-6-7-18-24-33(2)26-21-28-35(4)30-23-31-36(5)29-22-27-34(3)25-19-16-14-12-10-8-9-11-13-15-17-20-32-37/h33-36H,6-31H2,1-5H3
InChIKeyMHQFPPBLKBJQCX-UHFFFAOYSA-N
XLogP13.22
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds29
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.97
LogP ≤ 513.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 15,19,23,27-tetramethyldotriacontanenitrile 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 15,19,23,27-tetramethyldotriacontanenitrile?
The IUPAC name of 15,19,23,27-tetramethyldotriacontanenitrile (CID 527343) is 15,19,23,27-tetramethyldotriacontanenitrile.
What is the SMILES notation for 15,19,23,27-tetramethyldotriacontanenitrile?
The canonical SMILES for 15,19,23,27-tetramethyldotriacontanenitrile is CCCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCCCCCCCCCCCC#N.
What is the InChIKey of 15,19,23,27-tetramethyldotriacontanenitrile?
The InChIKey is MHQFPPBLKBJQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H71N/c1-6-7-18-24-33(2)26-21-28-35(4)30-23-31-36(5)29-22-27-34(3)25-19-16-14-12-10-8-9-11-13-15-17-20-32-37/h33-36H,6-31H2,1-5H3.
What are the key properties of 15,19,23,27-tetramethyldotriacontanenitrile?
15,19,23,27-tetramethyldotriacontanenitrile has a molecular weight of 517.97 g/mol, XLogP of 13.22, 29 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15,19,23,27-tetramethyldotriacontanenitrile is sourced from PubChem (CID 527343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).