dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecaynenitrile

C32H3N — CID 59741338

IUPACdotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecaynenitrile
SMILESCC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#N
InChIInChI=1S/C32H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33/h1H3
InChIKeyJBAUFORKGUIBRY-UHFFFAOYSA-N
MW401.38 g/mol
LogP0.58
Rot. Bonds

About dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecaynenitrile

dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecaynenitrile (PubChem CID 59741338) has the molecular formula C32H3N and a molecular weight of 401.38 g/mol. Its IUPAC name is dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecaynenitrile.

Molecular Properties

Compound Namedotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecaynenitrile
PubChem CID59741338
Molecular FormulaC32H3N
Molecular Weight401.38 g/mol
Exact Mass401.03
IUPAC Namedotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecaynenitrile
SMILESCC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#N
InChIInChI=1S/C32H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33/h1H3
InChIKeyJBAUFORKGUIBRY-UHFFFAOYSA-N
XLogP0.58
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.38
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecaynenitrile?
The IUPAC name of dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecaynenitrile (CID 59741338) is dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecaynenitrile.
What is the SMILES notation for dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecaynenitrile?
The canonical SMILES for dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecaynenitrile is CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#N.
What is the InChIKey of dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecaynenitrile?
The InChIKey is JBAUFORKGUIBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33/h1H3.
What are the key properties of dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecaynenitrile?
dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecaynenitrile has a molecular weight of 401.38 g/mol, XLogP of 0.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecaynenitrile is sourced from PubChem (CID 59741338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).