(4R)-4-[(E,1R)-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybut-2-enyl]cyclopent-2-en-1-one

C22H32O3Si — CID 11210996

IUPAC(4R)-4-[(E,1R)-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybut-2-enyl]cyclopent-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)O[C@H](/C=C/COCc1ccccc1)[C@H]1C=CC(=O)C1
InChIInChI=1S/C22H32O3Si/c1-22(2,3)26(4,5)25-21(19-13-14-20(23)16-19)12-9-15-24-17-18-10-7-6-8-11-18/h6-14,19,21H,15-17H2,1-5H3/b12-9+/t19-,21+/m0/s1
InChIKeyIXYZZKKHXUFXIO-PSUSJVNBSA-N
MW372.58 g/mol
LogP5.30
Rot. Bonds8

About (4R)-4-[(E,1R)-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybut-2-enyl]cyclopent-2-en-1-one

(4R)-4-[(E,1R)-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybut-2-enyl]cyclopent-2-en-1-one (PubChem CID 11210996) has the molecular formula C22H32O3Si and a molecular weight of 372.58 g/mol. Its IUPAC name is (4R)-4-[(E,1R)-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybut-2-enyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R)-4-[(E,1R)-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybut-2-enyl]cyclopent-2-en-1-one
PubChem CID11210996
Molecular FormulaC22H32O3Si
Molecular Weight372.58 g/mol
Exact Mass372.21
IUPAC Name(4R)-4-[(E,1R)-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybut-2-enyl]cyclopent-2-en-1-one
SMILESCC(C)(C)[Si](C)(C)O[C@H](/C=C/COCc1ccccc1)[C@H]1C=CC(=O)C1
InChIInChI=1S/C22H32O3Si/c1-22(2,3)26(4,5)25-21(19-13-14-20(23)16-19)12-9-15-24-17-18-10-7-6-8-11-18/h6-14,19,21H,15-17H2,1-5H3/b12-9+/t19-,21+/m0/s1
InChIKeyIXYZZKKHXUFXIO-PSUSJVNBSA-N
XLogP5.30
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.58
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4R)-4-[(E,1R)-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybut-2-enyl]cyclopent-2-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

(2R)-4-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-phenyl-2H-furan-5-one
CID 122662622
4-Phenylmethoxycyclohex-2-en-1-one
CID 72833135
3-(3-(Benzyloxy)-1-octenyl)-2-(3-(trimethylsilyl)-2-propynyl)cyclopentanone
CID 5469504
1-[3-(Benzyloxy)-1-[(tert-butyldimethylsilyl)oxy]cyclobutyl]ethan-1-one
CID 155978465
(2E)-5,5-difluoro-6-(phenylmethoxymethyl)octa-2,7-dien-4-one
CID 12138113
[1-[Fluoro(dimethyl)silyl]-2-methylheptan-3-yl] benzoate
CID 13723024
[(3R,5R)-5-[tert-butyl(dimethyl)silyl]oxydodec-1-en-3-yl] benzoate
CID 44604396
benzyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-3-oxohexanoate
CID 10872222
(2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanal
CID 11067249
Silane, (1,1-dimethylethyl)dimethyl[[6-(phenylmethoxy)hexyl]oxy]-
CID 11186346
3-(4-Phenylmethoxybutyl)cyclopent-2-en-1-one
CID 11334041
(2R,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-phenylmethoxypentanal
CID 11717284

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(E,1R)-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybut-2-enyl]cyclopent-2-en-1-one?
The IUPAC name of (4R)-4-[(E,1R)-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybut-2-enyl]cyclopent-2-en-1-one (CID 11210996) is (4R)-4-[(E,1R)-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybut-2-enyl]cyclopent-2-en-1-one.
What is the SMILES notation for (4R)-4-[(E,1R)-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybut-2-enyl]cyclopent-2-en-1-one?
The canonical SMILES for (4R)-4-[(E,1R)-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybut-2-enyl]cyclopent-2-en-1-one is CC(C)(C)[Si](C)(C)O[C@H](/C=C/COCc1ccccc1)[C@H]1C=CC(=O)C1.
What is the InChIKey of (4R)-4-[(E,1R)-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybut-2-enyl]cyclopent-2-en-1-one?
The InChIKey is IXYZZKKHXUFXIO-PSUSJVNBSA-N. The full InChI is InChI=1S/C22H32O3Si/c1-22(2,3)26(4,5)25-21(19-13-14-20(23)16-19)12-9-15-24-17-18-10-7-6-8-11-18/h6-14,19,21H,15-17H2,1-5H3/b12-9+/t19-,21+/m0/s1.
What are the key properties of (4R)-4-[(E,1R)-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybut-2-enyl]cyclopent-2-en-1-one?
(4R)-4-[(E,1R)-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybut-2-enyl]cyclopent-2-en-1-one has a molecular weight of 372.58 g/mol, XLogP of 5.30, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(E,1R)-1-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxybut-2-enyl]cyclopent-2-en-1-one is sourced from PubChem (CID 11210996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).