17,21,25,29-tetramethyltritriacontanenitrile

C37H73N — CID 527346

IUPAC17,21,25,29-tetramethyltritriacontanenitrile
SMILESCCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCCCCCCCCCCCCCC#N
InChIInChI=1S/C37H73N/c1-6-7-25-34(2)27-22-29-36(4)31-24-32-37(5)30-23-28-35(3)26-20-18-16-14-12-10-8-9-11-13-15-17-19-21-33-38/h34-37H,6-32H2,1-5H3
InChIKeyKVICQHLMNBUBMM-UHFFFAOYSA-N
MW532.00 g/mol
LogP13.61
Rot. Bonds30

About 17,21,25,29-tetramethyltritriacontanenitrile

17,21,25,29-tetramethyltritriacontanenitrile (PubChem CID 527346) has the molecular formula C37H73N and a molecular weight of 532.00 g/mol. Its IUPAC name is 17,21,25,29-tetramethyltritriacontanenitrile.

Molecular Properties

Compound Name17,21,25,29-tetramethyltritriacontanenitrile
PubChem CID527346
Molecular FormulaC37H73N
Molecular Weight532.00 g/mol
Exact Mass531.57
IUPAC Name17,21,25,29-tetramethyltritriacontanenitrile
SMILESCCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCCCCCCCCCCCCCC#N
InChIInChI=1S/C37H73N/c1-6-7-25-34(2)27-22-29-36(4)31-24-32-37(5)30-23-28-35(3)26-20-18-16-14-12-10-8-9-11-13-15-17-19-21-33-38/h34-37H,6-32H2,1-5H3
InChIKeyKVICQHLMNBUBMM-UHFFFAOYSA-N
XLogP13.61
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds30
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.00
LogP ≤ 513.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 17,21,25,29-tetramethyltritriacontanenitrile?
The IUPAC name of 17,21,25,29-tetramethyltritriacontanenitrile (CID 527346) is 17,21,25,29-tetramethyltritriacontanenitrile.
What is the SMILES notation for 17,21,25,29-tetramethyltritriacontanenitrile?
The canonical SMILES for 17,21,25,29-tetramethyltritriacontanenitrile is CCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCCCCCCCCCCCCCC#N.
What is the InChIKey of 17,21,25,29-tetramethyltritriacontanenitrile?
The InChIKey is KVICQHLMNBUBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H73N/c1-6-7-25-34(2)27-22-29-36(4)31-24-32-37(5)30-23-28-35(3)26-20-18-16-14-12-10-8-9-11-13-15-17-19-21-33-38/h34-37H,6-32H2,1-5H3.
What are the key properties of 17,21,25,29-tetramethyltritriacontanenitrile?
17,21,25,29-tetramethyltritriacontanenitrile has a molecular weight of 532.00 g/mol, XLogP of 13.61, 30 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 17,21,25,29-tetramethyltritriacontanenitrile is sourced from PubChem (CID 527346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).