methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate

C12H26O3Si — CID 11817464

IUPACmethyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
SMILESCOC(=O)C[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O3Si/c1-10(8-11(13)14-5)9-15-16(6,7)12(2,3)4/h10H,8-9H2,1-7H3/t10-/m0/s1
InChIKeySXPZQMQBQXOVDD-JTQLQIEISA-N
MW246.42 g/mol
LogP3.21
Rot. Bonds5

About methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate

methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate (PubChem CID 11817464) has the molecular formula C12H26O3Si and a molecular weight of 246.42 g/mol. Its IUPAC name is methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate.

Molecular Properties

Compound Namemethyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
PubChem CID11817464
Molecular FormulaC12H26O3Si
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Namemethyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
SMILESCOC(=O)C[C@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H26O3Si/c1-10(8-11(13)14-5)9-15-16(6,7)12(2,3)4/h10H,8-9H2,1-7H3/t10-/m0/s1
InChIKeySXPZQMQBQXOVDD-JTQLQIEISA-N
XLogP3.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 53.21
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 (4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentanoate
CID 11737070
methyl 5-[tert-butyl(dimethyl)silyl]oxy-3-methylpentanoate
CID 14234520
tert-butyl-[(E,2R)-2,4-dimethylhex-4-enoxy]-dimethylsilane
CID 10060311
methyl (4R)-6-[tert-butyl(dimethyl)silyl]oxy-4-methylhexanoate
CID 11219571
tert-butyl-dimethyl-[(2S)-2-methylbutoxy]silane
CID 133082116
methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxobutanoate
CID 15202310
methyl 4-(tert-butylamino)-3-methylbutanoate
CID 13402644
(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid
CID 87766399
methyl (3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-methyl-7-oxoheptanoate
CID 11514981
methyl (E,5R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-4,5-dimethylhept-3-enoate
CID 11723324
5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentan-1-ol
CID 14758907
dimethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxybutanedioate
CID 102115680

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate?
The IUPAC name of methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate (CID 11817464) is methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate.
What is the SMILES notation for methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate?
The canonical SMILES for methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate is COC(=O)C[C@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate?
The InChIKey is SXPZQMQBQXOVDD-JTQLQIEISA-N. The full InChI is InChI=1S/C12H26O3Si/c1-10(8-11(13)14-5)9-15-16(6,7)12(2,3)4/h10H,8-9H2,1-7H3/t10-/m0/s1.
What are the key properties of methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate?
methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate has a molecular weight of 246.42 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate is sourced from PubChem (CID 11817464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).