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

C14H28O4Si — CID 11108990

IUPACmethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyl-5-oxopentanoate
SMILESCOC(=O)[C@](C)(O[Si](C)(C)C(C)(C)C)[C@H](C)CC=O
InChIInChI=1S/C14H28O4Si/c1-11(9-10-15)14(5,12(16)17-6)18-19(7,8)13(2,3)4/h10-11H,9H2,1-8H3/t11-,14-/m1/s1
InChIKeyZZFBVJZRQNKPTA-BXUZGUMPSA-N
MW288.46 g/mol
LogP3.16
Rot. Bonds6

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

methyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyl-5-oxopentanoate (PubChem CID 11108990) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is methyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyl-5-oxopentanoate.

Molecular Properties

Compound Namemethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyl-5-oxopentanoate
PubChem CID11108990
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Namemethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyl-5-oxopentanoate
SMILESCOC(=O)[C@](C)(O[Si](C)(C)C(C)(C)C)[C@H](C)CC=O
InChIInChI=1S/C14H28O4Si/c1-11(9-10-15)14(5,12(16)17-6)18-19(7,8)13(2,3)4/h10-11H,9H2,1-8H3/t11-,14-/m1/s1
InChIKeyZZFBVJZRQNKPTA-BXUZGUMPSA-N
XLogP3.16
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-Oxo-2-(trifluoromethyl)-2-(trimethylsiloxy)pentanoic acid methyl ester
CID 11558300
methyl (2R)-2-[tert-butyl(dimethyl)silyl]oxy-5-oxopentanoate
CID 60195514
tert-butyl (3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-(2-oxoethyl)hexanoate
CID 134939507
Ethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-oxopentanoate
CID 135066118
methyl (2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-propan-2-ylpentanoate
CID 58100761
Methyl 4-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-propan-2-ylpentanoate
CID 76655841
methyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-oxo-2-propan-2-ylpentanoate
CID 87182773
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 (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyl-5-oxohexanoate
CID 10870388
tert-butyl (2R,3S,4S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methoxy-4-methyl-5-oxopentanoate
CID 11359965

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyl-5-oxopentanoate?
The IUPAC name of methyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyl-5-oxopentanoate (CID 11108990) is methyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyl-5-oxopentanoate.
What is the SMILES notation for methyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyl-5-oxopentanoate?
The canonical SMILES for methyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyl-5-oxopentanoate is COC(=O)[C@](C)(O[Si](C)(C)C(C)(C)C)[C@H](C)CC=O.
What is the InChIKey of methyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyl-5-oxopentanoate?
The InChIKey is ZZFBVJZRQNKPTA-BXUZGUMPSA-N. The full InChI is InChI=1S/C14H28O4Si/c1-11(9-10-15)14(5,12(16)17-6)18-19(7,8)13(2,3)4/h10-11H,9H2,1-8H3/t11-,14-/m1/s1.
What are the key properties of methyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyl-5-oxopentanoate?
methyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyl-5-oxopentanoate has a molecular weight of 288.46 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-2,3-dimethyl-5-oxopentanoate is sourced from PubChem (CID 11108990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).