(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-3-(2-phenylethyl)pent-4-en-1-one

C25H34O2Si — CID 134979384

IUPAC(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-3-(2-phenylethyl)pent-4-en-1-one
SMILESC=C[C@H](CCc1ccccc1)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)c1ccccc1
InChIInChI=1S/C25H34O2Si/c1-7-21(19-18-20-14-10-8-11-15-20)24(27-28(5,6)25(2,3)4)23(26)22-16-12-9-13-17-22/h7-17,21,24H,1,18-19H2,2-6H3/t21-,24+/m1/s1
InChIKeyPCGIMHIMLULLNM-QPPBQGQZSA-N
MW394.63 g/mol
LogP6.69
Rot. Bonds9

About (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-3-(2-phenylethyl)pent-4-en-1-one

(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-3-(2-phenylethyl)pent-4-en-1-one (PubChem CID 134979384) has the molecular formula C25H34O2Si and a molecular weight of 394.63 g/mol. Its IUPAC name is (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-3-(2-phenylethyl)pent-4-en-1-one.

Molecular Properties

Compound Name(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-3-(2-phenylethyl)pent-4-en-1-one
PubChem CID134979384
Molecular FormulaC25H34O2Si
Molecular Weight394.63 g/mol
Exact Mass394.23
IUPAC Name(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-3-(2-phenylethyl)pent-4-en-1-one
SMILESC=C[C@H](CCc1ccccc1)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)c1ccccc1
InChIInChI=1S/C25H34O2Si/c1-7-21(19-18-20-14-10-8-11-15-20)24(27-28(5,6)25(2,3)4)23(26)22-16-12-9-13-17-22/h7-17,21,24H,1,18-19H2,2-6H3/t21-,24+/m1/s1
InChIKeyPCGIMHIMLULLNM-QPPBQGQZSA-N
XLogP6.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.63
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-3-(2-phenylethyl)pent-4-en-1-one 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

[3-[tert-butyl(dimethyl)silyl]oxy-2-methylidene-5-phenylpentyl] acetate
CID 11163883
(3R)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-N-methylpent-4-enamide
CID 10065434
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutan-1-ol
CID 139246891
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-phenylpentanal
CID 53259150
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-phenylpentan-3-ol
CID 57308546
(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpentan-2-ol
CID 67144308
(2S,3R,4S)-N-benzyl-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-4-hydroxyoct-7-enamide
CID 11134977
2-methyl-1,4-diphenylbutan-1-one
CID 11413736
tert-butyl-dimethyl-[(2S)-3-methylidene-5-phenylpentan-2-yl]oxysilane
CID 101349147
(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-7-oxo-9-phenylnonanal
CID 139258405
[2-[(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhept-6-enyl]phenyl]methanol
CID 102186252
2-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-2-pyridin-4-ylethanone
CID 10758614

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-3-(2-phenylethyl)pent-4-en-1-one?
The IUPAC name of (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-3-(2-phenylethyl)pent-4-en-1-one (CID 134979384) is (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-3-(2-phenylethyl)pent-4-en-1-one.
What is the SMILES notation for (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-3-(2-phenylethyl)pent-4-en-1-one?
The canonical SMILES for (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-3-(2-phenylethyl)pent-4-en-1-one is C=C[C@H](CCc1ccccc1)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)c1ccccc1.
What is the InChIKey of (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-3-(2-phenylethyl)pent-4-en-1-one?
The InChIKey is PCGIMHIMLULLNM-QPPBQGQZSA-N. The full InChI is InChI=1S/C25H34O2Si/c1-7-21(19-18-20-14-10-8-11-15-20)24(27-28(5,6)25(2,3)4)23(26)22-16-12-9-13-17-22/h7-17,21,24H,1,18-19H2,2-6H3/t21-,24+/m1/s1.
What are the key properties of (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-3-(2-phenylethyl)pent-4-en-1-one?
(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-3-(2-phenylethyl)pent-4-en-1-one has a molecular weight of 394.63 g/mol, XLogP of 6.69, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-1-phenyl-3-(2-phenylethyl)pent-4-en-1-one is sourced from PubChem (CID 134979384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).