15,19,23,27-tetramethyltriacontanenitrile

C34H67N — CID 527344

IUPAC15,19,23,27-tetramethyltriacontanenitrile
SMILESCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCCCCCCCCCCCC#N
InChIInChI=1S/C34H67N/c1-6-22-31(2)24-19-26-33(4)28-21-29-34(5)27-20-25-32(3)23-17-15-13-11-9-7-8-10-12-14-16-18-30-35/h31-34H,6-29H2,1-5H3
InChIKeyISHPSUZCJIFPAT-UHFFFAOYSA-N
MW489.92 g/mol
LogP12.44
Rot. Bonds27

About 15,19,23,27-tetramethyltriacontanenitrile

15,19,23,27-tetramethyltriacontanenitrile (PubChem CID 527344) has the molecular formula C34H67N and a molecular weight of 489.92 g/mol. Its IUPAC name is 15,19,23,27-tetramethyltriacontanenitrile.

Molecular Properties

Compound Name15,19,23,27-tetramethyltriacontanenitrile
PubChem CID527344
Molecular FormulaC34H67N
Molecular Weight489.92 g/mol
Exact Mass489.53
IUPAC Name15,19,23,27-tetramethyltriacontanenitrile
SMILESCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCCCCCCCCCCCC#N
InChIInChI=1S/C34H67N/c1-6-22-31(2)24-19-26-33(4)28-21-29-34(5)27-20-25-32(3)23-17-15-13-11-9-7-8-10-12-14-16-18-30-35/h31-34H,6-29H2,1-5H3
InChIKeyISHPSUZCJIFPAT-UHFFFAOYSA-N
XLogP12.44
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds27
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.92
LogP ≤ 512.44
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-tetramethyltriacontanenitrile 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-tetramethyltriacontanenitrile?
The IUPAC name of 15,19,23,27-tetramethyltriacontanenitrile (CID 527344) is 15,19,23,27-tetramethyltriacontanenitrile.
What is the SMILES notation for 15,19,23,27-tetramethyltriacontanenitrile?
The canonical SMILES for 15,19,23,27-tetramethyltriacontanenitrile is CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCCCCCCCCCCCC#N.
What is the InChIKey of 15,19,23,27-tetramethyltriacontanenitrile?
The InChIKey is ISHPSUZCJIFPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H67N/c1-6-22-31(2)24-19-26-33(4)28-21-29-34(5)27-20-25-32(3)23-17-15-13-11-9-7-8-10-12-14-16-18-30-35/h31-34H,6-29H2,1-5H3.
What are the key properties of 15,19,23,27-tetramethyltriacontanenitrile?
15,19,23,27-tetramethyltriacontanenitrile has a molecular weight of 489.92 g/mol, XLogP of 12.44, 27 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15,19,23,27-tetramethyltriacontanenitrile is sourced from PubChem (CID 527344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).