but-2-yne;bis(prop-1-yne);prop-1-ynylbenzene

C19H22 — CID 167573718

IUPACbut-2-yne;bis(prop-1-yne);prop-1-ynylbenzene
SMILESC#CC.C#CC.CC#CC.CC#Cc1ccccc1
InChIInChI=1S/C9H8.C4H6.2C3H4/c1-2-6-9-7-4-3-5-8-9;1-3-4-2;2*1-3-2/h3-5,7-8H,1H3;1-2H3;2*1H,2H3
InChIKeyGGEJJNUIEKARNJ-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.37
Rot. Bonds

About but-2-yne;bis(prop-1-yne);prop-1-ynylbenzene

but-2-yne;bis(prop-1-yne);prop-1-ynylbenzene (PubChem CID 167573718) has the molecular formula C19H22 and a molecular weight of 250.38 g/mol. Its IUPAC name is but-2-yne;bis(prop-1-yne);prop-1-ynylbenzene.

Molecular Properties

Compound Namebut-2-yne;bis(prop-1-yne);prop-1-ynylbenzene
PubChem CID167573718
Molecular FormulaC19H22
Molecular Weight250.38 g/mol
Exact Mass250.17
IUPAC Namebut-2-yne;bis(prop-1-yne);prop-1-ynylbenzene
SMILESC#CC.C#CC.CC#CC.CC#Cc1ccccc1
InChIInChI=1S/C9H8.C4H6.2C3H4/c1-2-6-9-7-4-3-5-8-9;1-3-4-2;2*1-3-2/h3-5,7-8H,1H3;1-2H3;2*1H,2H3
InChIKeyGGEJJNUIEKARNJ-UHFFFAOYSA-N
XLogP4.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.37
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

prop-1-ynylbenzene
CID 142310164
prop-1-yne;prop-1-ynylbenzene;toluene
CID 91009204
dimethyl-bis(2-phenylethynyl)silane;dimethyl-(2-phenylethynyl)-prop-1-ynylsilane;bis(prop-1-yne)
CID 163895309
1,1'-biphenyl;but-2-yne;ethane;phenoxybenzene;prop-1-ynylbenzene
CID 159634981
2,2-dimethylpropan-1-amine;ethane;prop-1-ynylbenzene
CID 143509882
2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469
CID 134981564
CID 134981564
nona-1,3,5,7-tetraynylbenzene
CID 102149270
methylsulfanylmethane;2-phenylethynylbenzene
CID 166709013
N-prop-2-enylprop-2-en-1-amine;prop-1-ynylbenzene
CID 174695292
bromomethane;tetrakis(prop-1-ynylbenzene);bis(1,3,5,7-tetraphenyladamantane)
CID 159758538
2-phenylethynylbenzene;dihydrochloride
CID 174927104

Frequently Asked Questions

What is the IUPAC name of but-2-yne;bis(prop-1-yne);prop-1-ynylbenzene?
The IUPAC name of but-2-yne;bis(prop-1-yne);prop-1-ynylbenzene (CID 167573718) is but-2-yne;bis(prop-1-yne);prop-1-ynylbenzene.
What is the SMILES notation for but-2-yne;bis(prop-1-yne);prop-1-ynylbenzene?
The canonical SMILES for but-2-yne;bis(prop-1-yne);prop-1-ynylbenzene is C#CC.C#CC.CC#CC.CC#Cc1ccccc1.
What is the InChIKey of but-2-yne;bis(prop-1-yne);prop-1-ynylbenzene?
The InChIKey is GGEJJNUIEKARNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8.C4H6.2C3H4/c1-2-6-9-7-4-3-5-8-9;1-3-4-2;2*1-3-2/h3-5,7-8H,1H3;1-2H3;2*1H,2H3.
What are the key properties of but-2-yne;bis(prop-1-yne);prop-1-ynylbenzene?
but-2-yne;bis(prop-1-yne);prop-1-ynylbenzene has a molecular weight of 250.38 g/mol, XLogP of 4.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-yne;bis(prop-1-yne);prop-1-ynylbenzene is sourced from PubChem (CID 167573718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).