dimethyl 2,3-diphenyl-2,3-bis(trimethylsilyloxy)butanedioate

C24H34O6Si2 — CID 11826857

IUPACdimethyl 2,3-diphenyl-2,3-bis(trimethylsilyloxy)butanedioate
SMILESCOC(=O)C(O[Si](C)(C)C)(c1ccccc1)C(O[Si](C)(C)C)(C(=O)OC)c1ccccc1
InChIInChI=1S/C24H34O6Si2/c1-27-21(25)23(29-31(3,4)5,19-15-11-9-12-16-19)24(22(26)28-2,30-32(6,7)8)20-17-13-10-14-18-20/h9-18H,1-8H3
InChIKeyCSRWTWDGJQWRFG-UHFFFAOYSA-N
MW474.70 g/mol
LogP4.83
Rot. Bonds9

About dimethyl 2,3-diphenyl-2,3-bis(trimethylsilyloxy)butanedioate

dimethyl 2,3-diphenyl-2,3-bis(trimethylsilyloxy)butanedioate (PubChem CID 11826857) has the molecular formula C24H34O6Si2 and a molecular weight of 474.70 g/mol. Its IUPAC name is dimethyl 2,3-diphenyl-2,3-bis(trimethylsilyloxy)butanedioate.

Molecular Properties

Compound Namedimethyl 2,3-diphenyl-2,3-bis(trimethylsilyloxy)butanedioate
PubChem CID11826857
Molecular FormulaC24H34O6Si2
Molecular Weight474.70 g/mol
Exact Mass474.19
IUPAC Namedimethyl 2,3-diphenyl-2,3-bis(trimethylsilyloxy)butanedioate
SMILESCOC(=O)C(O[Si](C)(C)C)(c1ccccc1)C(O[Si](C)(C)C)(C(=O)OC)c1ccccc1
InChIInChI=1S/C24H34O6Si2/c1-27-21(25)23(29-31(3,4)5,19-15-11-9-12-16-19)24(22(26)28-2,30-32(6,7)8)20-17-13-10-14-18-20/h9-18H,1-8H3
InChIKeyCSRWTWDGJQWRFG-UHFFFAOYSA-N
XLogP4.83
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.70
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2,2-dimethyl-3-phenyl-3-trimethylsilyloxybutanoate
CID 11098418
methyl (2R)-2-cyano-2-phenyl-2-trimethylsilyloxyacetate
CID 45379026
methyl 2,2-dibromo-2-phenylacetate
CID 59974916
methyl 2-fluoro-2,2-diphenylacetate
CID 13222568
(2S)-2-phenyl-2-trimethylsilyl-2-trimethylsilyloxyacetic acid
CID 54395913
trimethyl(trityloxy)silane
CID 11067560
methyl 2-[2-(2-methoxyacetyl)hydrazinyl]-2,2-diphenylacetate
CID 20696173
methyl (2R)-2-amino-2-phenylpropanoate;hydrochloride
CID 141027321
methyl 2-methylsulfinyl-2,2-diphenylacetate
CID 68803988
dimethyl 2-phenyl-2-propan-2-ylpropanedioate
CID 142728088
(2R)-2-amino-3-methoxy-3-oxo-2-phenylpropanoic acid
CID 66823925
1-hydroxy-3,3-dimethyl-1-phenyl-1-trimethylsilyloxybutan-2-one
CID 56998630

Frequently Asked Questions

What is the IUPAC name of dimethyl 2,3-diphenyl-2,3-bis(trimethylsilyloxy)butanedioate?
The IUPAC name of dimethyl 2,3-diphenyl-2,3-bis(trimethylsilyloxy)butanedioate (CID 11826857) is dimethyl 2,3-diphenyl-2,3-bis(trimethylsilyloxy)butanedioate.
What is the SMILES notation for dimethyl 2,3-diphenyl-2,3-bis(trimethylsilyloxy)butanedioate?
The canonical SMILES for dimethyl 2,3-diphenyl-2,3-bis(trimethylsilyloxy)butanedioate is COC(=O)C(O[Si](C)(C)C)(c1ccccc1)C(O[Si](C)(C)C)(C(=O)OC)c1ccccc1.
What is the InChIKey of dimethyl 2,3-diphenyl-2,3-bis(trimethylsilyloxy)butanedioate?
The InChIKey is CSRWTWDGJQWRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O6Si2/c1-27-21(25)23(29-31(3,4)5,19-15-11-9-12-16-19)24(22(26)28-2,30-32(6,7)8)20-17-13-10-14-18-20/h9-18H,1-8H3.
What are the key properties of dimethyl 2,3-diphenyl-2,3-bis(trimethylsilyloxy)butanedioate?
dimethyl 2,3-diphenyl-2,3-bis(trimethylsilyloxy)butanedioate has a molecular weight of 474.70 g/mol, XLogP of 4.83, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,3-diphenyl-2,3-bis(trimethylsilyloxy)butanedioate is sourced from PubChem (CID 11826857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).