2,4-bis(trimethylsilyl)but-3-yn-2-ol

C10H22OSi2 — CID 15121706

IUPAC2,4-bis(trimethylsilyl)but-3-yn-2-ol
SMILESCC(O)(C#C[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C10H22OSi2/c1-10(11,13(5,6)7)8-9-12(2,3)4/h11H,1-7H3
InChIKeyKZGUZSQDTZFEFS-UHFFFAOYSA-N
MW214.46 g/mol
LogP2.50
Rot. Bonds1

About 2,4-bis(trimethylsilyl)but-3-yn-2-ol

2,4-bis(trimethylsilyl)but-3-yn-2-ol (PubChem CID 15121706) has the molecular formula C10H22OSi2 and a molecular weight of 214.46 g/mol. Its IUPAC name is 2,4-bis(trimethylsilyl)but-3-yn-2-ol.

Molecular Properties

Compound Name2,4-bis(trimethylsilyl)but-3-yn-2-ol
PubChem CID15121706
Molecular FormulaC10H22OSi2
Molecular Weight214.46 g/mol
Exact Mass214.12
IUPAC Name2,4-bis(trimethylsilyl)but-3-yn-2-ol
SMILESCC(O)(C#C[Si](C)(C)C)[Si](C)(C)C
InChIInChI=1S/C10H22OSi2/c1-10(11,13(5,6)7)8-9-12(2,3)4/h11H,1-7H3
InChIKeyKZGUZSQDTZFEFS-UHFFFAOYSA-N
XLogP2.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.46
LogP ≤ 52.50
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

2-Methyl-4-(trimethylsilyl)but-3-yn-2-ol
CID 332724
6-Trimethylsilyl-2-methylhexa-3,5-diyn-2-ol
CID 10678951
1,5-Bis(trimethylsilyl)penta-1,4-diyn-3-ol
CID 11107012
2-Trimethylsilyloct-3-yn-2-ol
CID 15500752
7-Trimethylsilyl-2,5,5-trimethyl-3,6-heptadiyn-2-ol
CID 129805983
6-Dimethylethylsilyl-2-methylhexa-3,5-diyn-2-ol
CID 129806516
2-[Tert-butyl(dimethyl)silyl]-4-trimethylsilylbut-3-yn-2-ol
CID 135068800
(3S)-3-[dimethyl(3-trimethylsilylprop-2-ynyl)silyl]-1-trimethylsilylpent-1-yn-3-ol
CID 166442571
2-Trimethylsilylnon-3-yn-2-ol
CID 166443136
2-Methyl-6-tri(propan-2-yl)silylhexa-3,5-diyn-2-ol
CID 85976137
1,5-Bis(trimethylsilyl)-3-(2-trimethylsilylethynyl)penta-1,4-diyn-3-ol
CID 13794756
3-Triethylsilylbut-1-yn-1-ol
CID 19358394

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(trimethylsilyl)but-3-yn-2-ol?
The IUPAC name of 2,4-bis(trimethylsilyl)but-3-yn-2-ol (CID 15121706) is 2,4-bis(trimethylsilyl)but-3-yn-2-ol.
What is the SMILES notation for 2,4-bis(trimethylsilyl)but-3-yn-2-ol?
The canonical SMILES for 2,4-bis(trimethylsilyl)but-3-yn-2-ol is CC(O)(C#C[Si](C)(C)C)[Si](C)(C)C.
What is the InChIKey of 2,4-bis(trimethylsilyl)but-3-yn-2-ol?
The InChIKey is KZGUZSQDTZFEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22OSi2/c1-10(11,13(5,6)7)8-9-12(2,3)4/h11H,1-7H3.
What are the key properties of 2,4-bis(trimethylsilyl)but-3-yn-2-ol?
2,4-bis(trimethylsilyl)but-3-yn-2-ol has a molecular weight of 214.46 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(trimethylsilyl)but-3-yn-2-ol is sourced from PubChem (CID 15121706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).