silyl 2,2-dibenzyl-3-phenylpropanoate

C23H24O2Si — CID 173057959

IUPACsilyl 2,2-dibenzyl-3-phenylpropanoate
SMILESO=C(O[SiH3])C(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H24O2Si/c24-22(25-26)23(16-19-10-4-1-5-11-19,17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15H,16-18H2,26H3
InChIKeyCRBBCSCNFQYLHV-UHFFFAOYSA-N
MW360.53 g/mol
LogP3.52
Rot. Bonds7

About silyl 2,2-dibenzyl-3-phenylpropanoate

silyl 2,2-dibenzyl-3-phenylpropanoate (PubChem CID 173057959) has the molecular formula C23H24O2Si and a molecular weight of 360.53 g/mol. Its IUPAC name is silyl 2,2-dibenzyl-3-phenylpropanoate.

Molecular Properties

Compound Namesilyl 2,2-dibenzyl-3-phenylpropanoate
PubChem CID173057959
Molecular FormulaC23H24O2Si
Molecular Weight360.53 g/mol
Exact Mass360.15
IUPAC Namesilyl 2,2-dibenzyl-3-phenylpropanoate
SMILESO=C(O[SiH3])C(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H24O2Si/c24-22(25-26)23(16-19-10-4-1-5-11-19,17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15H,16-18H2,26H3
InChIKeyCRBBCSCNFQYLHV-UHFFFAOYSA-N
XLogP3.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.53
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze silyl 2,2-dibenzyl-3-phenylpropanoate 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

(2S)-2-benzyl-2-methoxycarbonylbutanoic acid
CID 45141431
ethyl 2-amino-2-benzylbutanoate
CID 10857051
2,2-dibenzylnonanedioic acid
CID 54417441
2,2-dibenzyltetradecanoic acid
CID 174897332
5-amino-2,2-dibenzylpentanoic acid
CID 175429444
dimethyl 2-amino-2-benzylpropanedioate
CID 134836854
methyl (2R)-2-hydroxy-2-methyl-3-phenylpropanoate
CID 101122198
methyl 2-amino-2-benzyl-3-phenylpropanoate
CID 10825855
(2R)-2-amino-2-fluoro-3-phenylpropanoic acid
CID 54456970
butyl 2-benzyl-2-butylhexanoate
CID 57035745
3-benzyl-3-decyltridecan-2-one
CID 21201320
methyl (2R)-2-acetyloxy-2-methyl-3-phenylpropanoate
CID 134892502

Frequently Asked Questions

What is the IUPAC name of silyl 2,2-dibenzyl-3-phenylpropanoate?
The IUPAC name of silyl 2,2-dibenzyl-3-phenylpropanoate (CID 173057959) is silyl 2,2-dibenzyl-3-phenylpropanoate.
What is the SMILES notation for silyl 2,2-dibenzyl-3-phenylpropanoate?
The canonical SMILES for silyl 2,2-dibenzyl-3-phenylpropanoate is O=C(O[SiH3])C(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of silyl 2,2-dibenzyl-3-phenylpropanoate?
The InChIKey is CRBBCSCNFQYLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O2Si/c24-22(25-26)23(16-19-10-4-1-5-11-19,17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15H,16-18H2,26H3.
What are the key properties of silyl 2,2-dibenzyl-3-phenylpropanoate?
silyl 2,2-dibenzyl-3-phenylpropanoate has a molecular weight of 360.53 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for silyl 2,2-dibenzyl-3-phenylpropanoate is sourced from PubChem (CID 173057959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).