methyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxybutanoate

C12H26O4Si — CID 72948038

IUPACmethyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxybutanoate
SMILESCOC(=O)C[C@H](CO[Si](C)(C)C(C)(C)C)OC
InChIInChI=1S/C12H26O4Si/c1-12(2,3)17(6,7)16-9-10(14-4)8-11(13)15-5/h10H,8-9H2,1-7H3/t10-/m1/s1
InChIKeyMCQNENSYENMUAK-SNVBAGLBSA-N
MW262.42 g/mol
LogP2.59
Rot. Bonds6

About methyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxybutanoate

methyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxybutanoate (PubChem CID 72948038) has the molecular formula C12H26O4Si and a molecular weight of 262.42 g/mol. Its IUPAC name is methyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxybutanoate.

Molecular Properties

Compound Namemethyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxybutanoate
PubChem CID72948038
Molecular FormulaC12H26O4Si
Molecular Weight262.42 g/mol
Exact Mass262.16
IUPAC Namemethyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxybutanoate
SMILESCOC(=O)C[C@H](CO[Si](C)(C)C(C)(C)C)OC
InChIInChI=1S/C12H26O4Si/c1-12(2,3)17(6,7)16-9-10(14-4)8-11(13)15-5/h10H,8-9H2,1-7H3/t10-/m1/s1
InChIKeyMCQNENSYENMUAK-SNVBAGLBSA-N
XLogP2.59
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methyl (R)-3-[(tert-Butyldimethylsilyl)oxy]butanoate
CID 11009839
Butanoic acid, 3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, ethyl ester, (3R)-
CID 12914545
Dimethyl 2-[(trimethylsilyl)oxy]succinate
CID 552624
methyl (2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxirane-2-carboxylate
CID 10105987
dipropan-2-yl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]butanedioate
CID 11762344
Dimethyl (2R,3R)-2,3-bis{[tert-butyl(dimethyl)silyl]oxy}butanedioate
CID 15098268
ethyl (3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butanoate
CID 10959773
4-[[Tert-butyl(dimethyl)silyl]oxymethyl]oxetan-2-one
CID 11424481
Ethyl 3-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 12914544
Methyl 4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate
CID 14584147
methyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxybutanoate
CID 24823711
Butanoic acid, 3,4-bis[(trimethylsilyl)oxy]-, trimethylsilyl ester
CID 528639

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxybutanoate?
The IUPAC name of methyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxybutanoate (CID 72948038) is methyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxybutanoate.
What is the SMILES notation for methyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxybutanoate?
The canonical SMILES for methyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxybutanoate is COC(=O)C[C@H](CO[Si](C)(C)C(C)(C)C)OC.
What is the InChIKey of methyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxybutanoate?
The InChIKey is MCQNENSYENMUAK-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H26O4Si/c1-12(2,3)17(6,7)16-9-10(14-4)8-11(13)15-5/h10H,8-9H2,1-7H3/t10-/m1/s1.
What are the key properties of methyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxybutanoate?
methyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxybutanoate has a molecular weight of 262.42 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-4-[tert-butyl(dimethyl)silyl]oxy-3-methoxybutanoate is sourced from PubChem (CID 72948038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).