benzyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-diphenylacetyl)oxybutanoate

C31H38O5Si — CID 46179798

IUPACbenzyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-diphenylacetyl)oxybutanoate
SMILESCC(C)(C)[Si](C)(C)OCC[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C31H38O5Si/c1-31(2,3)37(4,5)35-22-21-27(29(32)34-23-24-15-9-6-10-16-24)36-30(33)28(25-17-11-7-12-18-25)26-19-13-8-14-20-26/h6-20,27-28H,21-23H2,1-5H3/t27-/m1/s1
InChIKeySHNXKYUYZUFYOY-HHHXNRCGSA-N
MW518.73 g/mol
LogP6.89
Rot. Bonds11

About benzyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-diphenylacetyl)oxybutanoate

benzyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-diphenylacetyl)oxybutanoate (PubChem CID 46179798) has the molecular formula C31H38O5Si and a molecular weight of 518.73 g/mol. Its IUPAC name is benzyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-diphenylacetyl)oxybutanoate.

Molecular Properties

Compound Namebenzyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-diphenylacetyl)oxybutanoate
PubChem CID46179798
Molecular FormulaC31H38O5Si
Molecular Weight518.73 g/mol
Exact Mass518.25
IUPAC Namebenzyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-diphenylacetyl)oxybutanoate
SMILESCC(C)(C)[Si](C)(C)OCC[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C31H38O5Si/c1-31(2,3)37(4,5)35-22-21-27(29(32)34-23-24-15-9-6-10-16-24)36-30(33)28(25-17-11-7-12-18-25)26-19-13-8-14-20-26/h6-20,27-28H,21-23H2,1-5H3/t27-/m1/s1
InChIKeySHNXKYUYZUFYOY-HHHXNRCGSA-N
XLogP6.89
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.73
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze benzyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-diphenylacetyl)oxybutanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

14-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-diphenylacetyl)oxytetradecanoic acid
CID 67997848
benzyl N-[(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-oxobutan-2-yl]carbamate
CID 175899923
O-[3-[tert-butyl(dimethyl)silyl]oxy-1-phenylpropyl]hydroxylamine
CID 71251740
phenyl (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanoate
CID 10971723
benzyl 5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-3-methylpentanoate
CID 156621112
benzyl (2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-(1,3-dioxoisoindol-2-yl)oxypropanoate
CID 10789943
benzyl (2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoate
CID 176759089
1-O-benzyl 4-O-tert-butyl (2S)-2-[tert-butyl(dimethyl)silyl]oxybutanedioate
CID 10786824
(2R)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylbutane-1,2-diol
CID 175760972
(2R)-2-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbutanamide
CID 10503965
(1R,2S,3R)-5-[tert-butyl(dimethyl)silyl]oxy-1-phenylpentane-1,2,3-triol
CID 10853609
4-[4-[tert-butyl(dimethyl)silyl]oxybutan-2-yloxymethyl]benzoic acid
CID 68630096

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-diphenylacetyl)oxybutanoate?
The IUPAC name of benzyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-diphenylacetyl)oxybutanoate (CID 46179798) is benzyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-diphenylacetyl)oxybutanoate.
What is the SMILES notation for benzyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-diphenylacetyl)oxybutanoate?
The canonical SMILES for benzyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-diphenylacetyl)oxybutanoate is CC(C)(C)[Si](C)(C)OCC[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-diphenylacetyl)oxybutanoate?
The InChIKey is SHNXKYUYZUFYOY-HHHXNRCGSA-N. The full InChI is InChI=1S/C31H38O5Si/c1-31(2,3)37(4,5)35-22-21-27(29(32)34-23-24-15-9-6-10-16-24)36-30(33)28(25-17-11-7-12-18-25)26-19-13-8-14-20-26/h6-20,27-28H,21-23H2,1-5H3/t27-/m1/s1.
What are the key properties of benzyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-diphenylacetyl)oxybutanoate?
benzyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-diphenylacetyl)oxybutanoate has a molecular weight of 518.73 g/mol, XLogP of 6.89, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(2,2-diphenylacetyl)oxybutanoate is sourced from PubChem (CID 46179798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).