dimethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxybutanedioate

C12H24O5Si — CID 102115680

IUPACdimethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxybutanedioate
SMILESCOC(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C12H24O5Si/c1-12(2,3)18(6,7)17-9(11(14)16-5)8-10(13)15-4/h9H,8H2,1-7H3/t9-/m1/s1
InChIKeyRLYXIPXHJVMOOL-SECBINFHSA-N
MW276.40 g/mol
LogP2.11
Rot. Bonds5

About dimethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxybutanedioate

dimethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxybutanedioate (PubChem CID 102115680) has the molecular formula C12H24O5Si and a molecular weight of 276.40 g/mol. Its IUPAC name is dimethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxybutanedioate.

Molecular Properties

Compound Namedimethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxybutanedioate
PubChem CID102115680
Molecular FormulaC12H24O5Si
Molecular Weight276.40 g/mol
Exact Mass276.14
IUPAC Namedimethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxybutanedioate
SMILESCOC(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C12H24O5Si/c1-12(2,3)18(6,7)17-9(11(14)16-5)8-10(13)15-4/h9H,8H2,1-7H3/t9-/m1/s1
InChIKeyRLYXIPXHJVMOOL-SECBINFHSA-N
XLogP2.11
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-yloxypropanoate
CID 59279534
methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxobutanoate
CID 15202310
methyl (3R,4S)-3-amino-4-[tert-butyl(dimethyl)silyl]oxy-5-fluoropentanoate
CID 59806230
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-[(2R)-1-methoxypropan-2-yl]oxypropanoate
CID 59279555
methyl 2-[tert-butyl(dimethyl)silyl]oxy-4-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]butanoate
CID 170984798
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-5-oxohexanoate
CID 89272980
methyl 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylpropanoate
CID 11674267
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 11128611
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxytetradecanoate
CID 58160475
methyl (E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxyhept-5-enoate
CID 10424227
methyl (3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 11817464
methyl 5-[tert-butyl(dimethyl)silyl]oxy-3-oxoheptanoate
CID 74025798

Frequently Asked Questions

What is the IUPAC name of dimethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxybutanedioate?
The IUPAC name of dimethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxybutanedioate (CID 102115680) is dimethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxybutanedioate.
What is the SMILES notation for dimethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxybutanedioate?
The canonical SMILES for dimethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxybutanedioate is COC(=O)C[C@@H](O[Si](C)(C)C(C)(C)C)C(=O)OC.
What is the InChIKey of dimethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxybutanedioate?
The InChIKey is RLYXIPXHJVMOOL-SECBINFHSA-N. The full InChI is InChI=1S/C12H24O5Si/c1-12(2,3)18(6,7)17-9(11(14)16-5)8-10(13)15-4/h9H,8H2,1-7H3/t9-/m1/s1.
What are the key properties of dimethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxybutanedioate?
dimethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxybutanedioate has a molecular weight of 276.40 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R)-2-[tert-butyl(dimethyl)silyl]oxybutanedioate is sourced from PubChem (CID 102115680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).