[4-[dimethyl(1-phenylprop-2-ynoxy)silyl]phenyl]-dimethyl-(1-phenylprop-2-ynoxy)silane

C28H30O2Si2 — CID 71389166

IUPAC[4-[dimethyl(1-phenylprop-2-ynoxy)silyl]phenyl]-dimethyl-(1-phenylprop-2-ynoxy)silane
SMILESC#CC(O[Si](C)(C)c1ccc([Si](C)(C)OC(C#C)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C28H30O2Si2/c1-7-27(23-15-11-9-12-16-23)29-31(3,4)25-19-21-26(22-20-25)32(5,6)30-28(8-2)24-17-13-10-14-18-24/h1-2,9-22,27-28H,3-6H3
InChIKeyOUUFWTYBBNQKBD-UHFFFAOYSA-N
MW454.72 g/mol
LogP5.29
Rot. Bonds8

About [4-[dimethyl(1-phenylprop-2-ynoxy)silyl]phenyl]-dimethyl-(1-phenylprop-2-ynoxy)silane

[4-[dimethyl(1-phenylprop-2-ynoxy)silyl]phenyl]-dimethyl-(1-phenylprop-2-ynoxy)silane (PubChem CID 71389166) has the molecular formula C28H30O2Si2 and a molecular weight of 454.72 g/mol. Its IUPAC name is [4-[dimethyl(1-phenylprop-2-ynoxy)silyl]phenyl]-dimethyl-(1-phenylprop-2-ynoxy)silane.

Molecular Properties

Compound Name[4-[dimethyl(1-phenylprop-2-ynoxy)silyl]phenyl]-dimethyl-(1-phenylprop-2-ynoxy)silane
PubChem CID71389166
Molecular FormulaC28H30O2Si2
Molecular Weight454.72 g/mol
Exact Mass454.18
IUPAC Name[4-[dimethyl(1-phenylprop-2-ynoxy)silyl]phenyl]-dimethyl-(1-phenylprop-2-ynoxy)silane
SMILESC#CC(O[Si](C)(C)c1ccc([Si](C)(C)OC(C#C)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C28H30O2Si2/c1-7-27(23-15-11-9-12-16-23)29-31(3,4)25-19-21-26(22-20-25)32(5,6)30-28(8-2)24-17-13-10-14-18-24/h1-2,9-22,27-28H,3-6H3
InChIKeyOUUFWTYBBNQKBD-UHFFFAOYSA-N
XLogP5.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.72
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-phenylprop-2-ynyl methanesulfinate
CID 11805600
1-ethenoxyprop-2-ynylbenzene
CID 71418172
[(1R)-1-phenylmethoxyprop-2-ynyl]benzene
CID 177433534
2-methyl-1-(1-phenylprop-2-ynoxy)propan-2-ol
CID 174922724
(2R)-2-[tert-butyl(diphenyl)silyl]oxy-2-phenylacetonitrile
CID 18653746
1-(2-ethoxypropan-2-yloxy)prop-2-ynylbenzene
CID 135072184
dimethyl-pentan-3-yloxy-phenylsilane
CID 11345091
4-[(1S)-1-phenylprop-2-ynoxy]butane-1,3-diol
CID 174922718
trimethyl-(2,2,2-trifluoro-1-phenylethoxy)silane
CID 11218868
(1R,2S)-1-[tert-butyl(dimethyl)silyl]oxy-1-phenylbut-3-yn-2-ol
CID 11119358
ethynyl-[4-(ethynyl-methyl-phenylsilyl)phenyl]-methyl-phenylsilane
CID 139653416
methyl-[(1S,2S)-2-[methyl(diphenyl)silyl]oxy-1,2-diphenylethoxy]-diphenylsilane
CID 102172480

Frequently Asked Questions

What is the IUPAC name of [4-[dimethyl(1-phenylprop-2-ynoxy)silyl]phenyl]-dimethyl-(1-phenylprop-2-ynoxy)silane?
The IUPAC name of [4-[dimethyl(1-phenylprop-2-ynoxy)silyl]phenyl]-dimethyl-(1-phenylprop-2-ynoxy)silane (CID 71389166) is [4-[dimethyl(1-phenylprop-2-ynoxy)silyl]phenyl]-dimethyl-(1-phenylprop-2-ynoxy)silane.
What is the SMILES notation for [4-[dimethyl(1-phenylprop-2-ynoxy)silyl]phenyl]-dimethyl-(1-phenylprop-2-ynoxy)silane?
The canonical SMILES for [4-[dimethyl(1-phenylprop-2-ynoxy)silyl]phenyl]-dimethyl-(1-phenylprop-2-ynoxy)silane is C#CC(O[Si](C)(C)c1ccc([Si](C)(C)OC(C#C)c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of [4-[dimethyl(1-phenylprop-2-ynoxy)silyl]phenyl]-dimethyl-(1-phenylprop-2-ynoxy)silane?
The InChIKey is OUUFWTYBBNQKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30O2Si2/c1-7-27(23-15-11-9-12-16-23)29-31(3,4)25-19-21-26(22-20-25)32(5,6)30-28(8-2)24-17-13-10-14-18-24/h1-2,9-22,27-28H,3-6H3.
What are the key properties of [4-[dimethyl(1-phenylprop-2-ynoxy)silyl]phenyl]-dimethyl-(1-phenylprop-2-ynoxy)silane?
[4-[dimethyl(1-phenylprop-2-ynoxy)silyl]phenyl]-dimethyl-(1-phenylprop-2-ynoxy)silane has a molecular weight of 454.72 g/mol, XLogP of 5.29, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[dimethyl(1-phenylprop-2-ynoxy)silyl]phenyl]-dimethyl-(1-phenylprop-2-ynoxy)silane is sourced from PubChem (CID 71389166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).