methyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3,4-diphenylbutanoate

C24H32O3Si — CID 122190266

IUPACmethyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3,4-diphenylbutanoate
SMILESC=C(C(=O)OC)[C@@H](c1ccccc1)[C@H](O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C24H32O3Si/c1-18(23(25)26-5)21(19-14-10-8-11-15-19)22(20-16-12-9-13-17-20)27-28(6,7)24(2,3)4/h8-17,21-22H,1H2,2-7H3/t21-,22+/m0/s1
InChIKeyBYIYOKKWABXPFQ-FCHUYYIVSA-N
MW396.60 g/mol
LogP6.26
Rot. Bonds7

About methyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3,4-diphenylbutanoate

methyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3,4-diphenylbutanoate (PubChem CID 122190266) has the molecular formula C24H32O3Si and a molecular weight of 396.60 g/mol. Its IUPAC name is methyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3,4-diphenylbutanoate.

Molecular Properties

Compound Namemethyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3,4-diphenylbutanoate
PubChem CID122190266
Molecular FormulaC24H32O3Si
Molecular Weight396.60 g/mol
Exact Mass396.21
IUPAC Namemethyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3,4-diphenylbutanoate
SMILESC=C(C(=O)OC)[C@@H](c1ccccc1)[C@H](O[Si](C)(C)C(C)(C)C)c1ccccc1
InChIInChI=1S/C24H32O3Si/c1-18(23(25)26-5)21(19-14-10-8-11-15-19)22(20-16-12-9-13-17-20)27-28(6,7)24(2,3)4/h8-17,21-22H,1H2,2-7H3/t21-,22+/m0/s1
InChIKeyBYIYOKKWABXPFQ-FCHUYYIVSA-N
XLogP6.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.60
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze methyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3,4-diphenylbutanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3,4-diphenylbutanoate?
The IUPAC name of methyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3,4-diphenylbutanoate (CID 122190266) is methyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3,4-diphenylbutanoate.
What is the SMILES notation for methyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3,4-diphenylbutanoate?
The canonical SMILES for methyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3,4-diphenylbutanoate is C=C(C(=O)OC)[C@@H](c1ccccc1)[C@H](O[Si](C)(C)C(C)(C)C)c1ccccc1.
What is the InChIKey of methyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3,4-diphenylbutanoate?
The InChIKey is BYIYOKKWABXPFQ-FCHUYYIVSA-N. The full InChI is InChI=1S/C24H32O3Si/c1-18(23(25)26-5)21(19-14-10-8-11-15-19)22(20-16-12-9-13-17-20)27-28(6,7)24(2,3)4/h8-17,21-22H,1H2,2-7H3/t21-,22+/m0/s1.
What are the key properties of methyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3,4-diphenylbutanoate?
methyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3,4-diphenylbutanoate has a molecular weight of 396.60 g/mol, XLogP of 6.26, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-3,4-diphenylbutanoate is sourced from PubChem (CID 122190266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).