hex-1-ynyl(diphenyl)stibane

C18H19Sb — CID 177419018

IUPAChex-1-ynyl(diphenyl)stibane
SMILESCCCCC#C[Sb](c1ccccc1)c1ccccc1
InChIInChI=1S/2C6H5.C6H9.Sb/c2*1-2-4-6-5-3-1;1-3-5-6-4-2;/h2*1-5H;3,5-6H2,1H3;
InChIKeyWPTMHWZALUOXPJ-UHFFFAOYSA-N
MW357.11 g/mol
LogP3.03
Rot. Bonds4

About hex-1-ynyl(diphenyl)stibane

hex-1-ynyl(diphenyl)stibane (PubChem CID 177419018) has the molecular formula C18H19Sb and a molecular weight of 357.11 g/mol. Its IUPAC name is hex-1-ynyl(diphenyl)stibane.

Molecular Properties

Compound Namehex-1-ynyl(diphenyl)stibane
PubChem CID177419018
Molecular FormulaC18H19Sb
Molecular Weight357.11 g/mol
Exact Mass356.05
IUPAC Namehex-1-ynyl(diphenyl)stibane
SMILESCCCCC#C[Sb](c1ccccc1)c1ccccc1
InChIInChI=1S/2C6H5.C6H9.Sb/c2*1-2-4-6-5-3-1;1-3-5-6-4-2;/h2*1-5H;3,5-6H2,1H3;
InChIKeyWPTMHWZALUOXPJ-UHFFFAOYSA-N
XLogP3.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.11
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

oct-1-en-3-yn-2-ylbenzene
CID 86242377
CID 10856570
CID 10856570
tridec-1-ynylbenzene
CID 19991064
dipentyl(phenyl)stibane
CID 19005166
2-(iodomethyl)oct-3-ynylbenzene
CID 10381704
ethane;non-1-ynylbenzene
CID 143616673
dec-3-ynylbenzene
CID 13130420
1,1'-biphenyl;pentanenitrile
CID 161141924
N-hept-2-ynylbenzamide
CID 102291976
[(E)-dodec-3-en-1,5-diynyl]benzene
CID 11322329
(NZ)-N-(1-phenylhept-2-ynylidene)hydroxylamine
CID 118955028
1-(2-hept-2-ynoylphenyl)hept-2-yn-1-one
CID 164666066

Frequently Asked Questions

What is the IUPAC name of hex-1-ynyl(diphenyl)stibane?
The IUPAC name of hex-1-ynyl(diphenyl)stibane (CID 177419018) is hex-1-ynyl(diphenyl)stibane.
What is the SMILES notation for hex-1-ynyl(diphenyl)stibane?
The canonical SMILES for hex-1-ynyl(diphenyl)stibane is CCCCC#C[Sb](c1ccccc1)c1ccccc1.
What is the InChIKey of hex-1-ynyl(diphenyl)stibane?
The InChIKey is WPTMHWZALUOXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H5.C6H9.Sb/c2*1-2-4-6-5-3-1;1-3-5-6-4-2;/h2*1-5H;3,5-6H2,1H3;.
What are the key properties of hex-1-ynyl(diphenyl)stibane?
hex-1-ynyl(diphenyl)stibane has a molecular weight of 357.11 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hex-1-ynyl(diphenyl)stibane is sourced from PubChem (CID 177419018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).