23-icosa-1,3,5,7,9,11,13,15,17,19-decaynyltritetraconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22-docosaen-24,26,28,30,32,34,36,38,40,42-decayne

C63H4 — CID 170937980

IUPAC23-icosa-1,3,5,7,9,11,13,15,17,19-decaynyltritetraconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22-docosaen-24,26,28,30,32,34,36,38,40,42-decayne
SMILESC#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#CC#CC#CC#CC#CC#CC#CC#CC#CC#C
InChIInChI=1S/C63H4/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-63(60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h2-3H,1H2
InChIKeyUAEIBXBNORLPRS-UHFFFAOYSA-N
MW760.72 g/mol
LogP4.13
Rot. Bonds

About 23-icosa-1,3,5,7,9,11,13,15,17,19-decaynyltritetraconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22-docosaen-24,26,28,30,32,34,36,38,40,42-decayne

23-icosa-1,3,5,7,9,11,13,15,17,19-decaynyltritetraconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22-docosaen-24,26,28,30,32,34,36,38,40,42-decayne (PubChem CID 170937980) has the molecular formula C63H4 and a molecular weight of 760.72 g/mol. Its IUPAC name is 23-icosa-1,3,5,7,9,11,13,15,17,19-decaynyltritetraconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22-docosaen-24,26,28,30,32,34,36,38,40,42-decayne.

Molecular Properties

Compound Name23-icosa-1,3,5,7,9,11,13,15,17,19-decaynyltritetraconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22-docosaen-24,26,28,30,32,34,36,38,40,42-decayne
PubChem CID170937980
Molecular FormulaC63H4
Molecular Weight760.72 g/mol
Exact Mass760.03
IUPAC Name23-icosa-1,3,5,7,9,11,13,15,17,19-decaynyltritetraconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22-docosaen-24,26,28,30,32,34,36,38,40,42-decayne
SMILESC#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#CC#CC#CC#CC#CC#CC#CC#CC#CC#C
InChIInChI=1S/C63H4/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-63(60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h2-3H,1H2
InChIKeyUAEIBXBNORLPRS-UHFFFAOYSA-N
XLogP4.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms63
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500760.72
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 23-icosa-1,3,5,7,9,11,13,15,17,19-decaynyltritetraconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22-docosaen-24,26,28,30,32,34,36,38,40,42-decayne with MolForge

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Related Compounds

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(1Z,7Z,13Z)-1,2,7,8,13,14-hexaethynylcyclooctadeca-1,7,13-trien-3,5,9,11,15,17-hexayne
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CID 15196674
5,10,15-Tris(penta-1,4-diyn-3-ylidene)cyclopentadeca-1,3,6,8,11,13-hexayne
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(1Z,5Z,9Z)-1,2,5,6,9,10-hexaethynylcyclododeca-1,5,9-trien-3,7,11-triyne
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1,4,7,10,13,16-Hexaethynylcyclooctadeca-1,2,3,7,8,9,13,14,15-nonaen-5,11,17-triyne
CID 102086364
3,14-Diethynylhexadeca-3,4,5,6,7,8,9,10,11,12,13-undecaen-1,15-diyne
CID 132839480
3,10-Diethynyldodeca-3,4,5,6,7,8,9-heptaen-1,11-diyne
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3,12-Diethynyltetradeca-3,4,5,6,7,8,9,10,11-nonaen-1,13-diyne
CID 132839483
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Frequently Asked Questions

What is the IUPAC name of 23-icosa-1,3,5,7,9,11,13,15,17,19-decaynyltritetraconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22-docosaen-24,26,28,30,32,34,36,38,40,42-decayne?
The IUPAC name of 23-icosa-1,3,5,7,9,11,13,15,17,19-decaynyltritetraconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22-docosaen-24,26,28,30,32,34,36,38,40,42-decayne (CID 170937980) is 23-icosa-1,3,5,7,9,11,13,15,17,19-decaynyltritetraconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22-docosaen-24,26,28,30,32,34,36,38,40,42-decayne.
What is the SMILES notation for 23-icosa-1,3,5,7,9,11,13,15,17,19-decaynyltritetraconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22-docosaen-24,26,28,30,32,34,36,38,40,42-decayne?
The canonical SMILES for 23-icosa-1,3,5,7,9,11,13,15,17,19-decaynyltritetraconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22-docosaen-24,26,28,30,32,34,36,38,40,42-decayne is C#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#CC#CC#CC#CC#CC#CC#CC#CC#CC#C.
What is the InChIKey of 23-icosa-1,3,5,7,9,11,13,15,17,19-decaynyltritetraconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22-docosaen-24,26,28,30,32,34,36,38,40,42-decayne?
The InChIKey is UAEIBXBNORLPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H4/c1-4-7-10-13-16-19-22-25-28-31-34-35-38-41-44-47-50-53-56-59-62-63(60-57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2)61-58-55-52-49-46-43-40-37-33-30-27-24-21-18-15-12-9-6-3/h2-3H,1H2.
What are the key properties of 23-icosa-1,3,5,7,9,11,13,15,17,19-decaynyltritetraconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22-docosaen-24,26,28,30,32,34,36,38,40,42-decayne?
23-icosa-1,3,5,7,9,11,13,15,17,19-decaynyltritetraconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22-docosaen-24,26,28,30,32,34,36,38,40,42-decayne has a molecular weight of 760.72 g/mol, XLogP of 4.13, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 23-icosa-1,3,5,7,9,11,13,15,17,19-decaynyltritetraconta-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22-docosaen-24,26,28,30,32,34,36,38,40,42-decayne is sourced from PubChem (CID 170937980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).