hex-1-ynyl-(2-phenylethynyl)-bis(2,4,6-trimethylphenyl)silane

C32H36Si — CID 102074670

IUPAChex-1-ynyl-(2-phenylethynyl)-bis(2,4,6-trimethylphenyl)silane
SMILESCCCCC#C[Si](C#Cc1ccccc1)(c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C
InChIInChI=1S/C32H36Si/c1-8-9-10-14-18-33(19-17-30-15-12-11-13-16-30,31-26(4)20-24(2)21-27(31)5)32-28(6)22-25(3)23-29(32)7/h11-13,15-16,20-23H,8-10H2,1-7H3
InChIKeyFBIKFAFPYBNUHZ-UHFFFAOYSA-N
MW448.73 g/mol
LogP6.42
Rot. Bonds4

About hex-1-ynyl-(2-phenylethynyl)-bis(2,4,6-trimethylphenyl)silane

hex-1-ynyl-(2-phenylethynyl)-bis(2,4,6-trimethylphenyl)silane (PubChem CID 102074670) has the molecular formula C32H36Si and a molecular weight of 448.73 g/mol. Its IUPAC name is hex-1-ynyl-(2-phenylethynyl)-bis(2,4,6-trimethylphenyl)silane.

Molecular Properties

Compound Namehex-1-ynyl-(2-phenylethynyl)-bis(2,4,6-trimethylphenyl)silane
PubChem CID102074670
Molecular FormulaC32H36Si
Molecular Weight448.73 g/mol
Exact Mass448.26
IUPAC Namehex-1-ynyl-(2-phenylethynyl)-bis(2,4,6-trimethylphenyl)silane
SMILESCCCCC#C[Si](C#Cc1ccccc1)(c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C
InChIInChI=1S/C32H36Si/c1-8-9-10-14-18-33(19-17-30-15-12-11-13-16-30,31-26(4)20-24(2)21-27(31)5)32-28(6)22-25(3)23-29(32)7/h11-13,15-16,20-23H,8-10H2,1-7H3
InChIKeyFBIKFAFPYBNUHZ-UHFFFAOYSA-N
XLogP6.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.73
LogP ≤ 56.42
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

hex-1-ynyl-[2-(4-pentylphenyl)ethynyl]-phenyl-[2,4,6-tri(propan-2-yl)phenyl]silane
CID 102074673
tridec-1-ynylbenzene
CID 19991064
ethane;non-1-ynylbenzene
CID 143616673
[(Z)-3-ethyl-4-methyldec-3-en-1,5-diynyl]benzene
CID 11807093
[(E)-dodec-3-en-1,5-diynyl]benzene
CID 11322329
3-butyl-4-hex-1-ynyl-1,2-dimethyl-5-phenylbenzene
CID 15326872
3-hex-1-ynylbenzonitrile
CID 86099197
5-phenyl-N-propylpent-4-yn-1-amine
CID 11401415
1-bromo-3-hex-1-ynylbenzene
CID 101374896
2-hex-1-ynylnaphthalene
CID 15311977
dimethyl-oct-1-ynyl-phenylsilane
CID 13357120
pentanenitrile;toluene
CID 158377987

Frequently Asked Questions

What is the IUPAC name of hex-1-ynyl-(2-phenylethynyl)-bis(2,4,6-trimethylphenyl)silane?
The IUPAC name of hex-1-ynyl-(2-phenylethynyl)-bis(2,4,6-trimethylphenyl)silane (CID 102074670) is hex-1-ynyl-(2-phenylethynyl)-bis(2,4,6-trimethylphenyl)silane.
What is the SMILES notation for hex-1-ynyl-(2-phenylethynyl)-bis(2,4,6-trimethylphenyl)silane?
The canonical SMILES for hex-1-ynyl-(2-phenylethynyl)-bis(2,4,6-trimethylphenyl)silane is CCCCC#C[Si](C#Cc1ccccc1)(c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C.
What is the InChIKey of hex-1-ynyl-(2-phenylethynyl)-bis(2,4,6-trimethylphenyl)silane?
The InChIKey is FBIKFAFPYBNUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36Si/c1-8-9-10-14-18-33(19-17-30-15-12-11-13-16-30,31-26(4)20-24(2)21-27(31)5)32-28(6)22-25(3)23-29(32)7/h11-13,15-16,20-23H,8-10H2,1-7H3.
What are the key properties of hex-1-ynyl-(2-phenylethynyl)-bis(2,4,6-trimethylphenyl)silane?
hex-1-ynyl-(2-phenylethynyl)-bis(2,4,6-trimethylphenyl)silane has a molecular weight of 448.73 g/mol, XLogP of 6.42, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hex-1-ynyl-(2-phenylethynyl)-bis(2,4,6-trimethylphenyl)silane is sourced from PubChem (CID 102074670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).