dotriaconta-4,15-dien-1,28,30-triyne

C32H50 — CID 90933147

IUPACdotriaconta-4,15-dien-1,28,30-triyne
SMILESC#CCC=CCCCCCCCCCC=CCCCCCCCCCCCC#CC#CC
InChIInChI=1S/C32H50/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h1,7,9,29,31H,5,11-28,30,32H2,2H3
InChIKeyNYEMDSODXYHJFF-UHFFFAOYSA-N
MW434.75 g/mol
LogP9.95
Rot. Bonds22

About dotriaconta-4,15-dien-1,28,30-triyne

dotriaconta-4,15-dien-1,28,30-triyne (PubChem CID 90933147) has the molecular formula C32H50 and a molecular weight of 434.75 g/mol. Its IUPAC name is dotriaconta-4,15-dien-1,28,30-triyne.

Molecular Properties

Compound Namedotriaconta-4,15-dien-1,28,30-triyne
PubChem CID90933147
Molecular FormulaC32H50
Molecular Weight434.75 g/mol
Exact Mass434.39
IUPAC Namedotriaconta-4,15-dien-1,28,30-triyne
SMILESC#CCC=CCCCCCCCCCC=CCCCCCCCCCCCC#CC#CC
InChIInChI=1S/C32H50/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h1,7,9,29,31H,5,11-28,30,32H2,2H3
InChIKeyNYEMDSODXYHJFF-UHFFFAOYSA-N
XLogP9.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds22
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.75
LogP ≤ 59.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dotriaconta-4,15-dien-1,28,30-triyne?
The IUPAC name of dotriaconta-4,15-dien-1,28,30-triyne (CID 90933147) is dotriaconta-4,15-dien-1,28,30-triyne.
What is the SMILES notation for dotriaconta-4,15-dien-1,28,30-triyne?
The canonical SMILES for dotriaconta-4,15-dien-1,28,30-triyne is C#CCC=CCCCCCCCCCC=CCCCCCCCCCCCC#CC#CC.
What is the InChIKey of dotriaconta-4,15-dien-1,28,30-triyne?
The InChIKey is NYEMDSODXYHJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H50/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h1,7,9,29,31H,5,11-28,30,32H2,2H3.
What are the key properties of dotriaconta-4,15-dien-1,28,30-triyne?
dotriaconta-4,15-dien-1,28,30-triyne has a molecular weight of 434.75 g/mol, XLogP of 9.95, 22 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dotriaconta-4,15-dien-1,28,30-triyne is sourced from PubChem (CID 90933147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).