2-[tert-butyl(dimethyl)silyl]-4-trimethylsilylbut-3-yn-2-ol

C13H28OSi2 — CID 135068800

IUPAC2-[tert-butyl(dimethyl)silyl]-4-trimethylsilylbut-3-yn-2-ol
SMILESCC(C)(C)[Si](C)(C)C(C)(O)C#C[Si](C)(C)C
InChIInChI=1S/C13H28OSi2/c1-12(2,3)16(8,9)13(4,14)10-11-15(5,6)7/h14H,1-9H3
InChIKeyRDTHWJWKSDNAEU-UHFFFAOYSA-N
MW256.54 g/mol
LogP3.67
Rot. Bonds1

About 2-[tert-butyl(dimethyl)silyl]-4-trimethylsilylbut-3-yn-2-ol

2-[tert-butyl(dimethyl)silyl]-4-trimethylsilylbut-3-yn-2-ol (PubChem CID 135068800) has the molecular formula C13H28OSi2 and a molecular weight of 256.54 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]-4-trimethylsilylbut-3-yn-2-ol.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]-4-trimethylsilylbut-3-yn-2-ol
PubChem CID135068800
Molecular FormulaC13H28OSi2
Molecular Weight256.54 g/mol
Exact Mass256.17
IUPAC Name2-[tert-butyl(dimethyl)silyl]-4-trimethylsilylbut-3-yn-2-ol
SMILESCC(C)(C)[Si](C)(C)C(C)(O)C#C[Si](C)(C)C
InChIInChI=1S/C13H28OSi2/c1-12(2,3)16(8,9)13(4,14)10-11-15(5,6)7/h14H,1-9H3
InChIKeyRDTHWJWKSDNAEU-UHFFFAOYSA-N
XLogP3.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.54
LogP ≤ 53.67
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

Tert-butyl(1-hydroxy-1-methylethyl)dimethylsilane
CID 46900816
2-Methyl-4-(trimethylsilyl)but-3-yn-2-ol
CID 332724
6-Trimethylsilyl-2-methylhexa-3,5-diyn-2-ol
CID 10678951
1,7-Bis[tri(propan-2-yl)silyl]-3-[2-tri(propan-2-yl)silylethynyl]hepta-1,4,6-triyn-3-ol
CID 15258550
(3R)-3-ethynyl-1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ol
CID 135086314
3-Methyl-1-(trimethylsilyl)pent-1-yn-3-ol
CID 12630623
Fluoro-2-methyl-4-triethylsilyl-but-3-yn-2-ol
CID 86693093
Di-tert-butyl(1-hydroxy-1-methylethyl)methylsilane
CID 46900817
2,4-Bis(trimethylsilyl)but-3-yn-2-ol
CID 15121706
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

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]-4-trimethylsilylbut-3-yn-2-ol?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]-4-trimethylsilylbut-3-yn-2-ol (CID 135068800) is 2-[tert-butyl(dimethyl)silyl]-4-trimethylsilylbut-3-yn-2-ol.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]-4-trimethylsilylbut-3-yn-2-ol?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]-4-trimethylsilylbut-3-yn-2-ol is CC(C)(C)[Si](C)(C)C(C)(O)C#C[Si](C)(C)C.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]-4-trimethylsilylbut-3-yn-2-ol?
The InChIKey is RDTHWJWKSDNAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28OSi2/c1-12(2,3)16(8,9)13(4,14)10-11-15(5,6)7/h14H,1-9H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]-4-trimethylsilylbut-3-yn-2-ol?
2-[tert-butyl(dimethyl)silyl]-4-trimethylsilylbut-3-yn-2-ol has a molecular weight of 256.54 g/mol, XLogP of 3.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]-4-trimethylsilylbut-3-yn-2-ol is sourced from PubChem (CID 135068800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).