dimethyl (2R,3R)-2-[tert-butyl(diphenyl)silyl]oxy-3-ethylbutanedioate

C24H32O5Si — CID 102212939

IUPACdimethyl (2R,3R)-2-[tert-butyl(diphenyl)silyl]oxy-3-ethylbutanedioate
SMILESCC[C@@H](C(=O)OC)[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OC
InChIInChI=1S/C24H32O5Si/c1-7-20(22(25)27-5)21(23(26)28-6)29-30(24(2,3)4,18-14-10-8-11-15-18)19-16-12-9-13-17-19/h8-17,20-21H,7H2,1-6H3/t20-,21-/m1/s1
InChIKeyMMDSGXUTROLMJP-NHCUHLMSSA-N
MW428.60 g/mol
LogP3.30
Rot. Bonds8

About dimethyl (2R,3R)-2-[tert-butyl(diphenyl)silyl]oxy-3-ethylbutanedioate

dimethyl (2R,3R)-2-[tert-butyl(diphenyl)silyl]oxy-3-ethylbutanedioate (PubChem CID 102212939) has the molecular formula C24H32O5Si and a molecular weight of 428.60 g/mol. Its IUPAC name is dimethyl (2R,3R)-2-[tert-butyl(diphenyl)silyl]oxy-3-ethylbutanedioate.

Molecular Properties

Compound Namedimethyl (2R,3R)-2-[tert-butyl(diphenyl)silyl]oxy-3-ethylbutanedioate
PubChem CID102212939
Molecular FormulaC24H32O5Si
Molecular Weight428.60 g/mol
Exact Mass428.20
IUPAC Namedimethyl (2R,3R)-2-[tert-butyl(diphenyl)silyl]oxy-3-ethylbutanedioate
SMILESCC[C@@H](C(=O)OC)[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OC
InChIInChI=1S/C24H32O5Si/c1-7-20(22(25)27-5)21(23(26)28-6)29-30(24(2,3)4,18-14-10-8-11-15-18)19-16-12-9-13-17-19/h8-17,20-21H,7H2,1-6H3/t20-,21-/m1/s1
InChIKeyMMDSGXUTROLMJP-NHCUHLMSSA-N
XLogP3.30
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 53.30
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

diethyl (3S)-2-bromo-3-[tert-butyl(diphenyl)silyl]oxybutanedioate
CID 177463160
methyl (2S)-2-[tert-butyl(diphenyl)silyl]oxy-3-phenylpropanoate
CID 11742789
methyl (2R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]butanoate
CID 53492893
methyl (2S)-2-[tert-butyl(diphenyl)silyl]oxyhexadecanoate
CID 91533261
tert-butyl-pentan-3-yloxy-diphenylsilane
CID 58776136
methyl 3-[tert-butyl(diphenyl)silyl]oxybutanoate;sulfane
CID 161259126
methyl (2S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-4-methylpentanoate
CID 11553115
methyl (3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoate
CID 11303215
(3R)-3-[tert-butyl(diphenyl)silyl]oxypentan-2-one;tert-butyl-[(3R)-2-methylpent-1-en-3-yl]oxy-diphenylsilane
CID 157329912
[(Z,4S)-4-[tert-butyl(diphenyl)silyl]oxypent-2-enyl] methyl carbonate
CID 101376664
2-[tert-butyl(diphenyl)silyl]oxyacetic acid
CID 11141564
prop-2-enyl (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoate
CID 11079127

Frequently Asked Questions

What is the IUPAC name of dimethyl (2R,3R)-2-[tert-butyl(diphenyl)silyl]oxy-3-ethylbutanedioate?
The IUPAC name of dimethyl (2R,3R)-2-[tert-butyl(diphenyl)silyl]oxy-3-ethylbutanedioate (CID 102212939) is dimethyl (2R,3R)-2-[tert-butyl(diphenyl)silyl]oxy-3-ethylbutanedioate.
What is the SMILES notation for dimethyl (2R,3R)-2-[tert-butyl(diphenyl)silyl]oxy-3-ethylbutanedioate?
The canonical SMILES for dimethyl (2R,3R)-2-[tert-butyl(diphenyl)silyl]oxy-3-ethylbutanedioate is CC[C@@H](C(=O)OC)[C@@H](O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)OC.
What is the InChIKey of dimethyl (2R,3R)-2-[tert-butyl(diphenyl)silyl]oxy-3-ethylbutanedioate?
The InChIKey is MMDSGXUTROLMJP-NHCUHLMSSA-N. The full InChI is InChI=1S/C24H32O5Si/c1-7-20(22(25)27-5)21(23(26)28-6)29-30(24(2,3)4,18-14-10-8-11-15-18)19-16-12-9-13-17-19/h8-17,20-21H,7H2,1-6H3/t20-,21-/m1/s1.
What are the key properties of dimethyl (2R,3R)-2-[tert-butyl(diphenyl)silyl]oxy-3-ethylbutanedioate?
dimethyl (2R,3R)-2-[tert-butyl(diphenyl)silyl]oxy-3-ethylbutanedioate has a molecular weight of 428.60 g/mol, XLogP of 3.30, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R,3R)-2-[tert-butyl(diphenyl)silyl]oxy-3-ethylbutanedioate is sourced from PubChem (CID 102212939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).