(2S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-yn-2-ol

C10H20O2Si — CID 20848710

IUPAC(2S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-yn-2-ol
SMILESC#C[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H20O2Si/c1-7-9(11)8-12-13(5,6)10(2,3)4/h1,9,11H,8H2,2-6H3/t9-/m0/s1
InChIKeyRSIBPEBNXDSOJQ-VIFPVBQESA-N
MW200.35 g/mol
LogP2.00
Rot. Bonds3

About (2S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-yn-2-ol

(2S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-yn-2-ol (PubChem CID 20848710) has the molecular formula C10H20O2Si and a molecular weight of 200.35 g/mol. Its IUPAC name is (2S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-yn-2-ol.

Molecular Properties

Compound Name(2S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-yn-2-ol
PubChem CID20848710
Molecular FormulaC10H20O2Si
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name(2S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-yn-2-ol
SMILESC#C[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H20O2Si/c1-7-9(11)8-12-13(5,6)10(2,3)4/h1,9,11H,8H2,2-6H3/t9-/m0/s1
InChIKeyRSIBPEBNXDSOJQ-VIFPVBQESA-N
XLogP2.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropanenitrile
CID 101034537
tert-butyl-dimethyl-(2-methylbut-3-ynoxy)silane
CID 10584128
tert-butyl-(2-methoxybut-3-ynoxy)-dimethylsilane
CID 131742760
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
(2R,3R,4R,5R)-1,6-bis[[tert-butyl(dimethyl)silyl]oxy]hexane-2,3,4,5-tetrol
CID 11486689
(2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-ol
CID 86606837
tert-butyl-[(2S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-ynoxy]-dimethylsilane
CID 56850000
1-tri(propan-2-yl)silyloxybut-3-yn-2-ol
CID 102024354
1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-ol
CID 14336173
(2S)-2-[(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-hydroxyethyl]-3-trimethylsilylpent-4-ynoic acid
CID 87972498
1-[tert-butyl(dimethyl)silyl]oxypentan-2-ol
CID 10608878
[(1S,3R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-ethynylbutoxy]-tert-butyl-dimethylsilane
CID 11271407

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-yn-2-ol?
The IUPAC name of (2S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-yn-2-ol (CID 20848710) is (2S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-yn-2-ol.
What is the SMILES notation for (2S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-yn-2-ol?
The canonical SMILES for (2S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-yn-2-ol is C#C[C@H](O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-yn-2-ol?
The InChIKey is RSIBPEBNXDSOJQ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H20O2Si/c1-7-9(11)8-12-13(5,6)10(2,3)4/h1,9,11H,8H2,2-6H3/t9-/m0/s1.
What are the key properties of (2S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-yn-2-ol?
(2S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-yn-2-ol has a molecular weight of 200.35 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-yn-2-ol is sourced from PubChem (CID 20848710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).