hydroxy-[3-[methyl(diphenyl)silyl]but-1-ynyl]-diphenylsilane

C29H28OSi2 — CID 11730043

IUPAChydroxy-[3-[methyl(diphenyl)silyl]but-1-ynyl]-diphenylsilane
SMILESCC(C#C[Si](O)(c1ccccc1)c1ccccc1)[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H28OSi2/c1-25(31(2,26-15-7-3-8-16-26)27-17-9-4-10-18-27)23-24-32(30,28-19-11-5-12-20-28)29-21-13-6-14-22-29/h3-22,25,30H,1-2H3
InChIKeyGCCDMEWZLBPEPK-UHFFFAOYSA-N
MW448.71 g/mol
LogP3.56
Rot. Bonds5

About hydroxy-[3-[methyl(diphenyl)silyl]but-1-ynyl]-diphenylsilane

hydroxy-[3-[methyl(diphenyl)silyl]but-1-ynyl]-diphenylsilane (PubChem CID 11730043) has the molecular formula C29H28OSi2 and a molecular weight of 448.71 g/mol. Its IUPAC name is hydroxy-[3-[methyl(diphenyl)silyl]but-1-ynyl]-diphenylsilane.

Molecular Properties

Compound Namehydroxy-[3-[methyl(diphenyl)silyl]but-1-ynyl]-diphenylsilane
PubChem CID11730043
Molecular FormulaC29H28OSi2
Molecular Weight448.71 g/mol
Exact Mass448.17
IUPAC Namehydroxy-[3-[methyl(diphenyl)silyl]but-1-ynyl]-diphenylsilane
SMILESCC(C#C[Si](O)(c1ccccc1)c1ccccc1)[Si](C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H28OSi2/c1-25(31(2,26-15-7-3-8-16-26)27-17-9-4-10-18-27)23-24-32(30,28-19-11-5-12-20-28)29-21-13-6-14-22-29/h3-22,25,30H,1-2H3
InChIKeyGCCDMEWZLBPEPK-UHFFFAOYSA-N
XLogP3.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.71
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

4-(3-hydroxybut-1-ynyl-methyl-phenylsilyl)but-3-yn-2-ol
CID 71399348
[hydroxy-(2-methylpropyl)-phenylsilyl]methanamine
CID 152688298
(2R)-2-[dimethyl(phenyl)silyl]propanenitrile
CID 125484053
hydroxy(triphenyl)silane;2-methylpropan-1-ol;titanium;dihydrate
CID 140942281
1-(tert-butyl-methyl-phenylsilyl)ethanol
CID 14898793
1-[methyl(diphenyl)silyl]ethyl dihydrogen phosphate
CID 66869772
1-[hydroxy(diphenyl)silyl]dec-1-yn-4-ol
CID 10981067
hydroxy-diphenyl-silylsilane
CID 123329097
4-[(3-hydroxy-3-methylbut-1-ynyl)-methyl-phenylsilyl]-2-methylbut-3-yn-2-ol
CID 13211512
di(butan-2-yl)-hydroxy-phenylsilane
CID 139986252
(amino-phenyl-propan-2-ylsilyl)benzene
CID 54544668
hydroxy(triphenyl)silane
CID 139058622

Frequently Asked Questions

What is the IUPAC name of hydroxy-[3-[methyl(diphenyl)silyl]but-1-ynyl]-diphenylsilane?
The IUPAC name of hydroxy-[3-[methyl(diphenyl)silyl]but-1-ynyl]-diphenylsilane (CID 11730043) is hydroxy-[3-[methyl(diphenyl)silyl]but-1-ynyl]-diphenylsilane.
What is the SMILES notation for hydroxy-[3-[methyl(diphenyl)silyl]but-1-ynyl]-diphenylsilane?
The canonical SMILES for hydroxy-[3-[methyl(diphenyl)silyl]but-1-ynyl]-diphenylsilane is CC(C#C[Si](O)(c1ccccc1)c1ccccc1)[Si](C)(c1ccccc1)c1ccccc1.
What is the InChIKey of hydroxy-[3-[methyl(diphenyl)silyl]but-1-ynyl]-diphenylsilane?
The InChIKey is GCCDMEWZLBPEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28OSi2/c1-25(31(2,26-15-7-3-8-16-26)27-17-9-4-10-18-27)23-24-32(30,28-19-11-5-12-20-28)29-21-13-6-14-22-29/h3-22,25,30H,1-2H3.
What are the key properties of hydroxy-[3-[methyl(diphenyl)silyl]but-1-ynyl]-diphenylsilane?
hydroxy-[3-[methyl(diphenyl)silyl]but-1-ynyl]-diphenylsilane has a molecular weight of 448.71 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[3-[methyl(diphenyl)silyl]but-1-ynyl]-diphenylsilane is sourced from PubChem (CID 11730043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).