(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylhexanoic acid

C13H28O3Si — CID 134892483

IUPAC(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylhexanoic acid
SMILESC[C@H](CC(=O)O)C[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O3Si/c1-10(9-12(14)15)8-11(2)16-17(6,7)13(3,4)5/h10-11H,8-9H2,1-7H3,(H,14,15)/t10-,11+/m0/s1
InChIKeyMEERPELUWKLZSG-WDEREUQCSA-N
MW260.45 g/mol
LogP3.90
Rot. Bonds6

About (3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylhexanoic acid

(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylhexanoic acid (PubChem CID 134892483) has the molecular formula C13H28O3Si and a molecular weight of 260.45 g/mol. Its IUPAC name is (3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylhexanoic acid.

Molecular Properties

Compound Name(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylhexanoic acid
PubChem CID134892483
Molecular FormulaC13H28O3Si
Molecular Weight260.45 g/mol
Exact Mass260.18
IUPAC Name(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylhexanoic acid
SMILESC[C@H](CC(=O)O)C[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O3Si/c1-10(9-12(14)15)8-11(2)16-17(6,7)13(3,4)5/h10-11H,8-9H2,1-7H3,(H,14,15)/t10-,11+/m0/s1
InChIKeyMEERPELUWKLZSG-WDEREUQCSA-N
XLogP3.90
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylhexanoic 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

5-((Tert-butyldimethylsilyl)oxy)hexanoic acid
CID 123255894
3-[Tert-butyl(dimethyl)silyl]oxy-4-fluorocyclopentane-1-carboxylic acid
CID 67189653
4-[Tert-butyl(dimethyl)silyl]oxy-3-fluorocyclohexane-1-carboxylic acid
CID 160305904
tert-Butyldimethylsilyl cis-4-hydroxycyclohexanecarboxylate
CID 91697228
trans-4-Hydroxycyclohexanecarboxylic acid, trimethylsilyl ester
CID 91713349
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylhexanoic acid
CID 135023452
(3S,5R)-5,9-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylnonanoic acid
CID 138980519
Methyl 5-([tert-butyl(dimethyl)silyl]oxy)-4-methylhexanoate
CID 553326
2-[3-[Tert-butyl(dimethyl)silyl]oxybutyl]propanedioic acid
CID 19876652
(2R,4R,5R)-5-hydroxy-2,4-dimethylhexanoic acid
CID 54345281
(2S,4S,5R)-5-hydroxy-2,4-dimethylhexanoic acid
CID 57012715
(2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-7-methyl-2-propan-2-yloctanoic acid
CID 57189569

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylhexanoic acid?
The IUPAC name of (3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylhexanoic acid (CID 134892483) is (3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylhexanoic acid.
What is the SMILES notation for (3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylhexanoic acid?
The canonical SMILES for (3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylhexanoic acid is C[C@H](CC(=O)O)C[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylhexanoic acid?
The InChIKey is MEERPELUWKLZSG-WDEREUQCSA-N. The full InChI is InChI=1S/C13H28O3Si/c1-10(9-12(14)15)8-11(2)16-17(6,7)13(3,4)5/h10-11H,8-9H2,1-7H3,(H,14,15)/t10-,11+/m0/s1.
What are the key properties of (3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylhexanoic acid?
(3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylhexanoic acid has a molecular weight of 260.45 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-3-methylhexanoic acid is sourced from PubChem (CID 134892483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).