[tert-butyl(dimethyl)silyl] 2-hydroxybutanoate

C10H22O3Si — CID 91752568

IUPAC[tert-butyl(dimethyl)silyl] 2-hydroxybutanoate
SMILESCCC(O)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H22O3Si/c1-7-8(11)9(12)13-14(5,6)10(2,3)4/h8,11H,7H2,1-6H3
InChIKeyQWWUTNLRKPSPKU-UHFFFAOYSA-N
MW218.37 g/mol
LogP2.31
Rot. Bonds3

About [tert-butyl(dimethyl)silyl] 2-hydroxybutanoate

[tert-butyl(dimethyl)silyl] 2-hydroxybutanoate (PubChem CID 91752568) has the molecular formula C10H22O3Si and a molecular weight of 218.37 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 2-hydroxybutanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 2-hydroxybutanoate
PubChem CID91752568
Molecular FormulaC10H22O3Si
Molecular Weight218.37 g/mol
Exact Mass218.13
IUPAC Name[tert-butyl(dimethyl)silyl] 2-hydroxybutanoate
SMILESCCC(O)C(=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H22O3Si/c1-7-8(11)9(12)13-14(5,6)10(2,3)4/h8,11H,7H2,1-6H3
InChIKeyQWWUTNLRKPSPKU-UHFFFAOYSA-N
XLogP2.31
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyl (S)-(-)-4-(tert-butyldimethylsilyloxy)-2-hydroxybutanoate
CID 16217854
2-O-tbdms-lactic acid
CID 14358756
l-(+)-Lactic acid, tert-butyldimethylsilyl ester
CID 14325765
Methyl 4-((tert-butyldimethylsilyl)oxy)-2-hydroxybutanoate
CID 4430418
(S)-2-(t-Butyl-dimethyl-silanyloxy)-propionic acid
CID 10035833
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoic acid
CID 11064310
2-[Tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluoro-3-methylbutanoic acid
CID 150285014
2-[Tert-butyl(dimethyl)silyl]oxy-3-methylpentanoic acid
CID 14412199
2-[Tert-butyl(dimethyl)silyl]oxypentanoic acid
CID 21665053
(R)-Methyl 4-((tert-butyldimethylsilyl)oxy)-2-hydroxybutanoate
CID 56833481
O-tbdms-glyceric acid
CID 129774725
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutanoic acid
CID 15724589

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 2-hydroxybutanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 2-hydroxybutanoate (CID 91752568) is [tert-butyl(dimethyl)silyl] 2-hydroxybutanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 2-hydroxybutanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 2-hydroxybutanoate is CCC(O)C(=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 2-hydroxybutanoate?
The InChIKey is QWWUTNLRKPSPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3Si/c1-7-8(11)9(12)13-14(5,6)10(2,3)4/h8,11H,7H2,1-6H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 2-hydroxybutanoate?
[tert-butyl(dimethyl)silyl] 2-hydroxybutanoate has a molecular weight of 218.37 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 2-hydroxybutanoate is sourced from PubChem (CID 91752568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).