15-undeca-2,3,4,5,6,7,8,9,10-nonaen-2-ylpentatetraconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14-tetradecaen-16,18,20,22,24,26,28,30,32,34,36,38,40,42,44-pentadecayne

C56H7- — CID 20714986

IUPAC15-undeca-2,3,4,5,6,7,8,9,10-nonaen-2-ylpentatetraconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14-tetradecaen-16,18,20,22,24,26,28,30,32,34,36,38,40,42,44-pentadecayne
SMILES[C-]#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC(=C=C=C=C=C=C=C=C=C=C=C=C=C=C)C(C)=C=C=C=C=C=C=C=C=C
InChIInChI=1S/C56H7/c1-5-8-11-14-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-45-48-51-54-56(55(4)52-49-46-43-16-13-10-7-3)53-50-47-44-41-39-22-20-18-15-12-9-6-2/h2-3H2,4H3/q-1
InChIKeyZUQAIYOCDHLDOV-UHFFFAOYSA-N
MW679.67 g/mol
LogP5.01
Rot. Bonds1

About 15-undeca-2,3,4,5,6,7,8,9,10-nonaen-2-ylpentatetraconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14-tetradecaen-16,18,20,22,24,26,28,30,32,34,36,38,40,42,44-pentadecayne

15-undeca-2,3,4,5,6,7,8,9,10-nonaen-2-ylpentatetraconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14-tetradecaen-16,18,20,22,24,26,28,30,32,34,36,38,40,42,44-pentadecayne (PubChem CID 20714986) has the molecular formula C56H7- and a molecular weight of 679.67 g/mol. Its IUPAC name is 15-undeca-2,3,4,5,6,7,8,9,10-nonaen-2-ylpentatetraconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14-tetradecaen-16,18,20,22,24,26,28,30,32,34,36,38,40,42,44-pentadecayne.

Molecular Properties

Compound Name15-undeca-2,3,4,5,6,7,8,9,10-nonaen-2-ylpentatetraconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14-tetradecaen-16,18,20,22,24,26,28,30,32,34,36,38,40,42,44-pentadecayne
PubChem CID20714986
Molecular FormulaC56H7-
Molecular Weight679.67 g/mol
Exact Mass679.06
IUPAC Name15-undeca-2,3,4,5,6,7,8,9,10-nonaen-2-ylpentatetraconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14-tetradecaen-16,18,20,22,24,26,28,30,32,34,36,38,40,42,44-pentadecayne
SMILES[C-]#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC(=C=C=C=C=C=C=C=C=C=C=C=C=C=C)C(C)=C=C=C=C=C=C=C=C=C
InChIInChI=1S/C56H7/c1-5-8-11-14-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-45-48-51-54-56(55(4)52-49-46-43-16-13-10-7-3)53-50-47-44-41-39-22-20-18-15-12-9-6-2/h2-3H2,4H3/q-1
InChIKeyZUQAIYOCDHLDOV-UHFFFAOYSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.67
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 15-undeca-2,3,4,5,6,7,8,9,10-nonaen-2-ylpentatetraconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14-tetradecaen-16,18,20,22,24,26,28,30,32,34,36,38,40,42,44-pentadecayne with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-undeca-2,3,4,5,6,7,8,9,10-nonaen-2-ylpentatetraconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14-tetradecaen-16,18,20,22,24,26,28,30,32,34,36,38,40,42,44-pentadecayne?
The IUPAC name of 15-undeca-2,3,4,5,6,7,8,9,10-nonaen-2-ylpentatetraconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14-tetradecaen-16,18,20,22,24,26,28,30,32,34,36,38,40,42,44-pentadecayne (CID 20714986) is 15-undeca-2,3,4,5,6,7,8,9,10-nonaen-2-ylpentatetraconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14-tetradecaen-16,18,20,22,24,26,28,30,32,34,36,38,40,42,44-pentadecayne.
What is the SMILES notation for 15-undeca-2,3,4,5,6,7,8,9,10-nonaen-2-ylpentatetraconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14-tetradecaen-16,18,20,22,24,26,28,30,32,34,36,38,40,42,44-pentadecayne?
The canonical SMILES for 15-undeca-2,3,4,5,6,7,8,9,10-nonaen-2-ylpentatetraconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14-tetradecaen-16,18,20,22,24,26,28,30,32,34,36,38,40,42,44-pentadecayne is [C-]#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC(=C=C=C=C=C=C=C=C=C=C=C=C=C=C)C(C)=C=C=C=C=C=C=C=C=C.
What is the InChIKey of 15-undeca-2,3,4,5,6,7,8,9,10-nonaen-2-ylpentatetraconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14-tetradecaen-16,18,20,22,24,26,28,30,32,34,36,38,40,42,44-pentadecayne?
The InChIKey is ZUQAIYOCDHLDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H7/c1-5-8-11-14-17-19-21-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-40-42-45-48-51-54-56(55(4)52-49-46-43-16-13-10-7-3)53-50-47-44-41-39-22-20-18-15-12-9-6-2/h2-3H2,4H3/q-1.
What are the key properties of 15-undeca-2,3,4,5,6,7,8,9,10-nonaen-2-ylpentatetraconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14-tetradecaen-16,18,20,22,24,26,28,30,32,34,36,38,40,42,44-pentadecayne?
15-undeca-2,3,4,5,6,7,8,9,10-nonaen-2-ylpentatetraconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14-tetradecaen-16,18,20,22,24,26,28,30,32,34,36,38,40,42,44-pentadecayne has a molecular weight of 679.67 g/mol, XLogP of 5.01, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 15-undeca-2,3,4,5,6,7,8,9,10-nonaen-2-ylpentatetraconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14-tetradecaen-16,18,20,22,24,26,28,30,32,34,36,38,40,42,44-pentadecayne is sourced from PubChem (CID 20714986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).