methyl (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate

C14H30O4Si — CID 42605089

IUPACmethyl (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate
SMILESCOC(=O)[C@H](C)[C@@H](O)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O4Si/c1-10(12(15)11(2)13(16)17-6)9-18-19(7,8)14(3,4)5/h10-12,15H,9H2,1-8H3/t10-,11+,12-/m0/s1
InChIKeyDYTCDFJOIQFQDY-TUAOUCFPSA-N
MW290.48 g/mol
LogP2.81
Rot. Bonds6

About methyl (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate

methyl (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate (PubChem CID 42605089) has the molecular formula C14H30O4Si and a molecular weight of 290.48 g/mol. Its IUPAC name is methyl (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate.

Molecular Properties

Compound Namemethyl (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate
PubChem CID42605089
Molecular FormulaC14H30O4Si
Molecular Weight290.48 g/mol
Exact Mass290.19
IUPAC Namemethyl (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate
SMILESCOC(=O)[C@H](C)[C@@H](O)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30O4Si/c1-10(12(15)11(2)13(16)17-6)9-18-19(7,8)14(3,4)5/h10-12,15H,9H2,1-8H3/t10-,11+,12-/m0/s1
InChIKeyDYTCDFJOIQFQDY-TUAOUCFPSA-N
XLogP2.81
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate 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 methyl (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate?
The IUPAC name of methyl (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate (CID 42605089) is methyl (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate.
What is the SMILES notation for methyl (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate?
The canonical SMILES for methyl (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate is COC(=O)[C@H](C)[C@@H](O)[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate?
The InChIKey is DYTCDFJOIQFQDY-TUAOUCFPSA-N. The full InChI is InChI=1S/C14H30O4Si/c1-10(12(15)11(2)13(16)17-6)9-18-19(7,8)14(3,4)5/h10-12,15H,9H2,1-8H3/t10-,11+,12-/m0/s1.
What are the key properties of methyl (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate?
methyl (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate has a molecular weight of 290.48 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate is sourced from PubChem (CID 42605089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).