1-phenyl-1,4-bis(trimethylsilyl)but-3-yn-1-ol

C16H26OSi2 — CID 10401990

IUPAC1-phenyl-1,4-bis(trimethylsilyl)but-3-yn-1-ol
SMILESC[Si](C)(C)C#CCC(O)(c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C16H26OSi2/c1-18(2,3)14-10-13-16(17,19(4,5)6)15-11-8-7-9-12-15/h7-9,11-12,17H,13H2,1-6H3
InChIKeyLZJKEQPBDXJRDE-UHFFFAOYSA-N
MW290.56 g/mol
LogP4.02
Rot. Bonds3

About 1-phenyl-1,4-bis(trimethylsilyl)but-3-yn-1-ol

1-phenyl-1,4-bis(trimethylsilyl)but-3-yn-1-ol (PubChem CID 10401990) has the molecular formula C16H26OSi2 and a molecular weight of 290.56 g/mol. Its IUPAC name is 1-phenyl-1,4-bis(trimethylsilyl)but-3-yn-1-ol.

Molecular Properties

Compound Name1-phenyl-1,4-bis(trimethylsilyl)but-3-yn-1-ol
PubChem CID10401990
Molecular FormulaC16H26OSi2
Molecular Weight290.56 g/mol
Exact Mass290.15
IUPAC Name1-phenyl-1,4-bis(trimethylsilyl)but-3-yn-1-ol
SMILESC[Si](C)(C)C#CCC(O)(c1ccccc1)[Si](C)(C)C
InChIInChI=1S/C16H26OSi2/c1-18(2,3)14-10-13-16(17,19(4,5)6)15-11-8-7-9-12-15/h7-9,11-12,17H,13H2,1-6H3
InChIKeyLZJKEQPBDXJRDE-UHFFFAOYSA-N
XLogP4.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.56
LogP ≤ 54.02
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

3-Hydroxy-3-phenyl-1-butyne
CID 92098
Benzene, [1-[(trimethylsilyl)oxy]ethenyl]-
CID 117406
2-(Trimethylsilylethynyl)benzyl alcohol
CID 11117179
2-(Dimethylphenylsilyl)benzyl alcohol
CID 11989421
2-[4-[Diethyl(methyl)silyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 168271253
1,1,1,3,3,3-Hexafluoro-2-(4-triethylsilylphenyl)propan-2-ol
CID 168272454
2-[4-[Dimethyl(prop-2-enyl)silyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 168282113
2-[4-[Tert-butyl(dimethyl)silyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 168282164
2-[4-[Dimethyl(trimethylsilyl)silyl]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 168282776
1,1,1,3,3,3-Hexafluoro-2-(4-tripropylsilylphenyl)propan-2-ol
CID 168293391
1-Phenylundeca-2,4-diyne-1,6-diol
CID 88064731
2,5-Diphenylhex-3-yne-2,5-diol
CID 94863

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1,4-bis(trimethylsilyl)but-3-yn-1-ol?
The IUPAC name of 1-phenyl-1,4-bis(trimethylsilyl)but-3-yn-1-ol (CID 10401990) is 1-phenyl-1,4-bis(trimethylsilyl)but-3-yn-1-ol.
What is the SMILES notation for 1-phenyl-1,4-bis(trimethylsilyl)but-3-yn-1-ol?
The canonical SMILES for 1-phenyl-1,4-bis(trimethylsilyl)but-3-yn-1-ol is C[Si](C)(C)C#CCC(O)(c1ccccc1)[Si](C)(C)C.
What is the InChIKey of 1-phenyl-1,4-bis(trimethylsilyl)but-3-yn-1-ol?
The InChIKey is LZJKEQPBDXJRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26OSi2/c1-18(2,3)14-10-13-16(17,19(4,5)6)15-11-8-7-9-12-15/h7-9,11-12,17H,13H2,1-6H3.
What are the key properties of 1-phenyl-1,4-bis(trimethylsilyl)but-3-yn-1-ol?
1-phenyl-1,4-bis(trimethylsilyl)but-3-yn-1-ol has a molecular weight of 290.56 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1,4-bis(trimethylsilyl)but-3-yn-1-ol is sourced from PubChem (CID 10401990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).