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

C17H34O5Si — CID 11359965

IUPACtert-butyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxopentanoate
SMILESCO[C@@H](C(C)C=O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C17H34O5Si/c1-12(11-18)13(20-8)14(15(19)21-16(2,3)4)22-23(9,10)17(5,6)7/h11-14H,1-10H3/t12?,13-,14+/m0/s1
InChIKeyTWLYOBFPLBKVBB-KFTPUPIBSA-N
MW346.54 g/mol
LogP3.57
Rot. Bonds7

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

tert-butyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxopentanoate (PubChem CID 11359965) has the molecular formula C17H34O5Si and a molecular weight of 346.54 g/mol. Its IUPAC name is tert-butyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxopentanoate.

Molecular Properties

Compound Nametert-butyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxopentanoate
PubChem CID11359965
Molecular FormulaC17H34O5Si
Molecular Weight346.54 g/mol
Exact Mass346.22
IUPAC Nametert-butyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxopentanoate
SMILESCO[C@@H](C(C)C=O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C17H34O5Si/c1-12(11-18)13(20-8)14(15(19)21-16(2,3)4)22-23(9,10)17(5,6)7/h11-14H,1-10H3/t12?,13-,14+/m0/s1
InChIKeyTWLYOBFPLBKVBB-KFTPUPIBSA-N
XLogP3.57
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.54
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze tert-butyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxopentanoate 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

[(2S,4S)-4-methyl-5-oxo-2-triethylsilyloxypentyl] 2,2-dimethylpropanoate
CID 25108327
tert-butyl (3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(2-oxoethyl)hexanoate
CID 134939507
tert-butyl (2R,3R,4R)-2,4-dimethyl-5-oxo-3-tri(propan-2-yl)silyloxypentanoate
CID 135012524
Ethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-oxopentanoate
CID 135066118
[(2S,3R,4S)-4-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-1-oxohexan-2-yl] acetate
CID 101214067
formaldehyde;(3R,4S,5S,6R)-5-methyl-6-trimethylsilyl-3,4-bis(trimethylsilyloxy)oxan-2-one
CID 160061681
tert-butyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate
CID 164851609
Tert-butyl 2-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate
CID 175560241
methyl (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methoxy-5-oxopentanoate
CID 10334426
[(2R,3S,4S)-2,4-dimethyl-5-oxo-3-tri(propan-2-yl)silyloxypentyl] 2,2-dimethylpropanoate
CID 10738933
tert-butyl (3R,4S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-oxopentanoate
CID 10812661
methyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyl-5-oxopentanoate
CID 11108990

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxopentanoate?
The IUPAC name of tert-butyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxopentanoate (CID 11359965) is tert-butyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxopentanoate.
What is the SMILES notation for tert-butyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxopentanoate?
The canonical SMILES for tert-butyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxopentanoate is CO[C@@H](C(C)C=O)[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxopentanoate?
The InChIKey is TWLYOBFPLBKVBB-KFTPUPIBSA-N. The full InChI is InChI=1S/C17H34O5Si/c1-12(11-18)13(20-8)14(15(19)21-16(2,3)4)22-23(9,10)17(5,6)7/h11-14H,1-10H3/t12?,13-,14+/m0/s1.
What are the key properties of tert-butyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxopentanoate?
tert-butyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxopentanoate has a molecular weight of 346.54 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxopentanoate is sourced from PubChem (CID 11359965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).