1-but-3-ynyl-2-[4-(2-but-3-ynylphenyl)buta-1,3-diynyl]benzene

C24H18 — CID 134836669

IUPAC1-but-3-ynyl-2-[4-(2-but-3-ynylphenyl)buta-1,3-diynyl]benzene
SMILESC#CCCc1ccccc1C#CC#Cc1ccccc1CCC#C
InChIInChI=1S/C24H18/c1-3-5-13-21-15-7-9-17-23(21)19-11-12-20-24-18-10-8-16-22(24)14-6-4-2/h1-2,7-10,15-18H,5-6,13-14H2
InChIKeyIEAXIXWEVKVXQS-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.22
Rot. Bonds4

About 1-but-3-ynyl-2-[4-(2-but-3-ynylphenyl)buta-1,3-diynyl]benzene

1-but-3-ynyl-2-[4-(2-but-3-ynylphenyl)buta-1,3-diynyl]benzene (PubChem CID 134836669) has the molecular formula C24H18 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-but-3-ynyl-2-[4-(2-but-3-ynylphenyl)buta-1,3-diynyl]benzene.

Molecular Properties

Compound Name1-but-3-ynyl-2-[4-(2-but-3-ynylphenyl)buta-1,3-diynyl]benzene
PubChem CID134836669
Molecular FormulaC24H18
Molecular Weight306.41 g/mol
Exact Mass306.14
IUPAC Name1-but-3-ynyl-2-[4-(2-but-3-ynylphenyl)buta-1,3-diynyl]benzene
SMILESC#CCCc1ccccc1C#CC#Cc1ccccc1CCC#C
InChIInChI=1S/C24H18/c1-3-5-13-21-15-7-9-17-23(21)19-11-12-20-24-18-10-8-16-22(24)14-6-4-2/h1-2,7-10,15-18H,5-6,13-14H2
InChIKeyIEAXIXWEVKVXQS-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 14956073
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1-but-3-ynyl-2-iodo-3-methylbenzene
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1-but-3-ynyl-9H-carbazole
CID 173036439
1-but-3-ynyl-2-pentoxybenzene
CID 11665685
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CID 119081838
1-(2-nitroethyl)-2-(2-phenylethynyl)benzene
CID 102598876
1-phenylhept-6-yn-3-ol
CID 63657298
2-but-3-ynyl-1-[2-(2-but-3-ynyl-5-methoxyphenyl)ethynyl]naphthalene
CID 23630546
1-(3-chloroprop-1-ynyl)-2-propylbenzene
CID 130905787
4-(2-oct-1-ynylphenyl)but-1-yn-1-ol
CID 70446792

Frequently Asked Questions

What is the IUPAC name of 1-but-3-ynyl-2-[4-(2-but-3-ynylphenyl)buta-1,3-diynyl]benzene?
The IUPAC name of 1-but-3-ynyl-2-[4-(2-but-3-ynylphenyl)buta-1,3-diynyl]benzene (CID 134836669) is 1-but-3-ynyl-2-[4-(2-but-3-ynylphenyl)buta-1,3-diynyl]benzene.
What is the SMILES notation for 1-but-3-ynyl-2-[4-(2-but-3-ynylphenyl)buta-1,3-diynyl]benzene?
The canonical SMILES for 1-but-3-ynyl-2-[4-(2-but-3-ynylphenyl)buta-1,3-diynyl]benzene is C#CCCc1ccccc1C#CC#Cc1ccccc1CCC#C.
What is the InChIKey of 1-but-3-ynyl-2-[4-(2-but-3-ynylphenyl)buta-1,3-diynyl]benzene?
The InChIKey is IEAXIXWEVKVXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18/c1-3-5-13-21-15-7-9-17-23(21)19-11-12-20-24-18-10-8-16-22(24)14-6-4-2/h1-2,7-10,15-18H,5-6,13-14H2.
What are the key properties of 1-but-3-ynyl-2-[4-(2-but-3-ynylphenyl)buta-1,3-diynyl]benzene?
1-but-3-ynyl-2-[4-(2-but-3-ynylphenyl)buta-1,3-diynyl]benzene has a molecular weight of 306.41 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-ynyl-2-[4-(2-but-3-ynylphenyl)buta-1,3-diynyl]benzene is sourced from PubChem (CID 134836669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).