(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethoxybutanoic acid

C12H26O4Si — CID 87165682

IUPAC(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethoxybutanoic acid
SMILESCCOC(C)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C12H26O4Si/c1-8-15-9(2)10(11(13)14)16-17(6,7)12(3,4)5/h9-10H,8H2,1-7H3,(H,13,14)/t9?,10-/m0/s1
InChIKeyFWPNWHFKUOEZJH-AXDSSHIGSA-N
MW262.42 g/mol
LogP2.89
Rot. Bonds6

About (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethoxybutanoic acid

(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethoxybutanoic acid (PubChem CID 87165682) has the molecular formula C12H26O4Si and a molecular weight of 262.42 g/mol. Its IUPAC name is (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethoxybutanoic acid.

Molecular Properties

Compound Name(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethoxybutanoic acid
PubChem CID87165682
Molecular FormulaC12H26O4Si
Molecular Weight262.42 g/mol
Exact Mass262.16
IUPAC Name(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethoxybutanoic acid
SMILESCCOC(C)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C12H26O4Si/c1-8-15-9(2)10(11(13)14)16-17(6,7)12(3,4)5/h9-10H,8H2,1-7H3,(H,13,14)/t9?,10-/m0/s1
InChIKeyFWPNWHFKUOEZJH-AXDSSHIGSA-N
XLogP2.89
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethoxybutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoic acid
CID 14412199
(2R)-2-[tert-butyl(dimethyl)silyl]oxypropanoic acid
CID 14358757
(2R)-2-[tert-butyl(dimethyl)silyl]oxybutanoic acid
CID 87507546
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoic acid
CID 100971723
ethyl (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(methylaminomethyl)butanoate
CID 57178030
2-[tert-butyl(dimethyl)silyl]oxy-4-iodobutanoic acid
CID 154140046
diethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylbutanedioate
CID 11782898
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 11128611
2-[1-[tert-butyl(dimethyl)silyl]oxyethyl]but-3-enoic acid
CID 123565815
1-[tert-butyl(dimethyl)silyl]oxyethylcarbamic acid
CID 175475346
(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethylhexanoic acid
CID 59132379
ethyl 2-[2-[2-[tert-butyl(dimethyl)silyl]oxypropanoyloxy]propanoyloxy]propanoate
CID 10177567

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethoxybutanoic acid?
The IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethoxybutanoic acid (CID 87165682) is (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethoxybutanoic acid.
What is the SMILES notation for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethoxybutanoic acid?
The canonical SMILES for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethoxybutanoic acid is CCOC(C)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)O.
What is the InChIKey of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethoxybutanoic acid?
The InChIKey is FWPNWHFKUOEZJH-AXDSSHIGSA-N. The full InChI is InChI=1S/C12H26O4Si/c1-8-15-9(2)10(11(13)14)16-17(6,7)12(3,4)5/h9-10H,8H2,1-7H3,(H,13,14)/t9?,10-/m0/s1.
What are the key properties of (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethoxybutanoic acid?
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethoxybutanoic acid has a molecular weight of 262.42 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethoxybutanoic acid is sourced from PubChem (CID 87165682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).