(3R)-3-[tert-butyl(dimethyl)silyl]oxybutanoic acid

C10H22O3Si — CID 11096091

IUPAC(3R)-3-[tert-butyl(dimethyl)silyl]oxybutanoic acid
SMILESC[C@H](CC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H22O3Si/c1-8(7-9(11)12)13-14(5,6)10(2,3)4/h8H,7H2,1-6H3,(H,11,12)/t8-/m1/s1
InChIKeySVHGAHUUGQJELP-MRVPVSSYSA-N
MW218.37 g/mol
LogP2.87
Rot. Bonds4

About (3R)-3-[tert-butyl(dimethyl)silyl]oxybutanoic acid

(3R)-3-[tert-butyl(dimethyl)silyl]oxybutanoic acid (PubChem CID 11096091) has the molecular formula C10H22O3Si and a molecular weight of 218.37 g/mol. Its IUPAC name is (3R)-3-[tert-butyl(dimethyl)silyl]oxybutanoic acid.

Molecular Properties

Compound Name(3R)-3-[tert-butyl(dimethyl)silyl]oxybutanoic acid
PubChem CID11096091
Molecular FormulaC10H22O3Si
Molecular Weight218.37 g/mol
Exact Mass218.13
IUPAC Name(3R)-3-[tert-butyl(dimethyl)silyl]oxybutanoic acid
SMILESC[C@H](CC(=O)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H22O3Si/c1-8(7-9(11)12)13-14(5,6)10(2,3)4/h8H,7H2,1-6H3,(H,11,12)/t8-/m1/s1
InChIKeySVHGAHUUGQJELP-MRVPVSSYSA-N
XLogP2.87
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3R)-3-[tert-butyl(dimethyl)silyl]oxybutanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[tert-butyl(dimethyl)silyl]oxybutanoic acid?
The IUPAC name of (3R)-3-[tert-butyl(dimethyl)silyl]oxybutanoic acid (CID 11096091) is (3R)-3-[tert-butyl(dimethyl)silyl]oxybutanoic acid.
What is the SMILES notation for (3R)-3-[tert-butyl(dimethyl)silyl]oxybutanoic acid?
The canonical SMILES for (3R)-3-[tert-butyl(dimethyl)silyl]oxybutanoic acid is C[C@H](CC(=O)O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3R)-3-[tert-butyl(dimethyl)silyl]oxybutanoic acid?
The InChIKey is SVHGAHUUGQJELP-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H22O3Si/c1-8(7-9(11)12)13-14(5,6)10(2,3)4/h8H,7H2,1-6H3,(H,11,12)/t8-/m1/s1.
What are the key properties of (3R)-3-[tert-butyl(dimethyl)silyl]oxybutanoic acid?
(3R)-3-[tert-butyl(dimethyl)silyl]oxybutanoic acid has a molecular weight of 218.37 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[tert-butyl(dimethyl)silyl]oxybutanoic acid is sourced from PubChem (CID 11096091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).