methyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate

C13H28O3Si — CID 139252727

IUPACmethyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
SMILESCOC(=O)C[C@@H](C)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O3Si/c1-10(9-12(14)15-6)11(2)16-17(7,8)13(3,4)5/h10-11H,9H2,1-8H3/t10-,11+/m1/s1
InChIKeyWUURQOBOTMKXDS-MNOVXSKESA-N
MW260.45 g/mol
LogP3.60
Rot. Bonds5

About methyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate

methyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate (PubChem CID 139252727) has the molecular formula C13H28O3Si and a molecular weight of 260.45 g/mol. Its IUPAC name is methyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate.

Molecular Properties

Compound Namemethyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
PubChem CID139252727
Molecular FormulaC13H28O3Si
Molecular Weight260.45 g/mol
Exact Mass260.18
IUPAC Namemethyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
SMILESCOC(=O)C[C@@H](C)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H28O3Si/c1-10(9-12(14)15-6)11(2)16-17(7,8)13(3,4)5/h10-11H,9H2,1-8H3/t10-,11+/m1/s1
InChIKeyWUURQOBOTMKXDS-MNOVXSKESA-N
XLogP3.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.45
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2-methyl-3-[(trimethylsilyl)oxy]cyclopropane-1-carboxylate
CID 11447018
ethyl (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoate
CID 101906521
ethyl (4R)-4-[tert-butyl(dimethyl)silyl]oxypentanoate
CID 11118818
methyl (2R,3R)-2-methyl-3-triethylsilyloxypentanoate
CID 16731925
methyl (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
CID 44232635
Ethyl 3-ethyl-2-trimethylsilylpentanoate
CID 145865785
Ethyl 3-methyl-2-trimethylsilylpentanoate
CID 145865786
4-Hydroxy-2-methylpentanoic acid, bis-TMS
CID 14440990
Pentanoic acid, 4-methyl-3-(t-butyldimethylsilyloxy)-, methyl ester
CID 608938
ethyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
CID 11832609
methyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentanoate
CID 21604458
(4S,5S)-4,5-dimethyl-3-trimethylsilyloxolan-2-one
CID 21677062

Frequently Asked Questions

What is the IUPAC name of methyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate?
The IUPAC name of methyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate (CID 139252727) is methyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate.
What is the SMILES notation for methyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate?
The canonical SMILES for methyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate is COC(=O)C[C@@H](C)[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate?
The InChIKey is WUURQOBOTMKXDS-MNOVXSKESA-N. The full InChI is InChI=1S/C13H28O3Si/c1-10(9-12(14)15-6)11(2)16-17(7,8)13(3,4)5/h10-11H,9H2,1-8H3/t10-,11+/m1/s1.
What are the key properties of methyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate?
methyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate has a molecular weight of 260.45 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate is sourced from PubChem (CID 139252727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).