1,4,4-tris[dimethyl(phenyl)silyl]butan-1-ol

C28H40OSi3 — CID 10766972

IUPAC1,4,4-tris[dimethyl(phenyl)silyl]butan-1-ol
SMILESC[Si](C)(c1ccccc1)C(O)CCC([Si](C)(C)c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C28H40OSi3/c1-30(2,24-16-10-7-11-17-24)27(29)22-23-28(31(3,4)25-18-12-8-13-19-25)32(5,6)26-20-14-9-15-21-26/h7-21,27-29H,22-23H2,1-6H3
InChIKeyBPJQJVWVKSWPSC-UHFFFAOYSA-N
MW476.89 g/mol
LogP5.42
Rot. Bonds9

About 1,4,4-tris[dimethyl(phenyl)silyl]butan-1-ol

1,4,4-tris[dimethyl(phenyl)silyl]butan-1-ol (PubChem CID 10766972) has the molecular formula C28H40OSi3 and a molecular weight of 476.89 g/mol. Its IUPAC name is 1,4,4-tris[dimethyl(phenyl)silyl]butan-1-ol.

Molecular Properties

Compound Name1,4,4-tris[dimethyl(phenyl)silyl]butan-1-ol
PubChem CID10766972
Molecular FormulaC28H40OSi3
Molecular Weight476.89 g/mol
Exact Mass476.24
IUPAC Name1,4,4-tris[dimethyl(phenyl)silyl]butan-1-ol
SMILESC[Si](C)(c1ccccc1)C(O)CCC([Si](C)(C)c1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C28H40OSi3/c1-30(2,24-16-10-7-11-17-24)27(29)22-23-28(31(3,4)25-18-12-8-13-19-25)32(5,6)26-20-14-9-15-21-26/h7-21,27-29H,22-23H2,1-6H3
InChIKeyBPJQJVWVKSWPSC-UHFFFAOYSA-N
XLogP5.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.89
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis[dimethyl(phenyl)silyl]methyl-dimethyl-phenylsilane
CID 11037167
(3R)-3-[dimethyl(phenyl)silyl]-4-methylpent-4-en-1-ol
CID 100920671
(2S)-2-[dimethyl(phenyl)silyl]but-3-en-1-ol
CID 134955377
3-[dimethyl(phenyl)silyl]-3-trimethylsilylpropanal
CID 102292717
dibromomethyl-dimethyl-phenylsilane
CID 11358731
butan-2-yl-dimethyl-phenylsilane
CID 102005826
(2S)-2-[dimethyl(phenyl)silyl]hexan-1-ol
CID 10752326
dimethyl-[(2S)-pent-4-en-2-yl]-phenylsilane
CID 134970098
(2S,3S)-3-[dimethyl(phenyl)silyl]-4-diphenylphosphorylbutan-2-ol
CID 102599598
[(2R)-but-3-en-2-yl]-dimethyl-phenylsilane
CID 134947847
[(2S)-4-(1,3-dioxan-2-yl)-1-phenylbutan-2-yl]-dimethyl-phenylsilane
CID 138972612
1-(but-3-enyl-methyl-phenylsilyl)-3-methylbutan-1-ol
CID 22967163

Frequently Asked Questions

What is the IUPAC name of 1,4,4-tris[dimethyl(phenyl)silyl]butan-1-ol?
The IUPAC name of 1,4,4-tris[dimethyl(phenyl)silyl]butan-1-ol (CID 10766972) is 1,4,4-tris[dimethyl(phenyl)silyl]butan-1-ol.
What is the SMILES notation for 1,4,4-tris[dimethyl(phenyl)silyl]butan-1-ol?
The canonical SMILES for 1,4,4-tris[dimethyl(phenyl)silyl]butan-1-ol is C[Si](C)(c1ccccc1)C(O)CCC([Si](C)(C)c1ccccc1)[Si](C)(C)c1ccccc1.
What is the InChIKey of 1,4,4-tris[dimethyl(phenyl)silyl]butan-1-ol?
The InChIKey is BPJQJVWVKSWPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40OSi3/c1-30(2,24-16-10-7-11-17-24)27(29)22-23-28(31(3,4)25-18-12-8-13-19-25)32(5,6)26-20-14-9-15-21-26/h7-21,27-29H,22-23H2,1-6H3.
What are the key properties of 1,4,4-tris[dimethyl(phenyl)silyl]butan-1-ol?
1,4,4-tris[dimethyl(phenyl)silyl]butan-1-ol has a molecular weight of 476.89 g/mol, XLogP of 5.42, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,4-tris[dimethyl(phenyl)silyl]butan-1-ol is sourced from PubChem (CID 10766972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).