[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-1-methylcyclopropyl] acetate

C22H36O3Si2 — CID 101178879

IUPAC[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-1-methylcyclopropyl] acetate
SMILESCC(=O)OC1(C)C[C@@]1(/C=C/[Si](C)(C)c1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H36O3Si2/c1-18(23)24-21(5)17-22(21,25-27(8,9)20(2,3)4)15-16-26(6,7)19-13-11-10-12-14-19/h10-16H,17H2,1-9H3/b16-15+/t21?,22-/m1/s1
InChIKeyRGTUWBRFQZXROD-KQMFTCGESA-N
MW404.70 g/mol
LogP5.18
Rot. Bonds6

About [(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-1-methylcyclopropyl] acetate

[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-1-methylcyclopropyl] acetate (PubChem CID 101178879) has the molecular formula C22H36O3Si2 and a molecular weight of 404.70 g/mol. Its IUPAC name is [(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-1-methylcyclopropyl] acetate.

Molecular Properties

Compound Name[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-1-methylcyclopropyl] acetate
PubChem CID101178879
Molecular FormulaC22H36O3Si2
Molecular Weight404.70 g/mol
Exact Mass404.22
IUPAC Name[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-1-methylcyclopropyl] acetate
SMILESCC(=O)OC1(C)C[C@@]1(/C=C/[Si](C)(C)c1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H36O3Si2/c1-18(23)24-21(5)17-22(21,25-27(8,9)20(2,3)4)15-16-26(6,7)19-13-11-10-12-14-19/h10-16H,17H2,1-9H3/b16-15+/t21?,22-/m1/s1
InChIKeyRGTUWBRFQZXROD-KQMFTCGESA-N
XLogP5.18
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.70
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-1-methylcyclopropyl] acetate 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

[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-1,3-dioxolan-2-yl] acetate
CID 67792078
(E)-3-[dimethyl(phenyl)silyl]prop-2-enoic acid
CID 10104447
(E)-1-[dimethyl(phenyl)silyl]-4-methylpent-1-en-3-one
CID 23649548
[(2R)-2-acetyloxy-2-[(2S,3R,5S)-2-[tert-butyl(diphenyl)silyl]-2,5-dimethyl-1,4-dioxaspiro[2.2]pentan-5-yl]ethyl] acetate
CID 10073991
[(1R,2S,3R)-2-[tert-butyl(diphenyl)silyl]oxy-3-formylcyclobutyl]methyl acetate
CID 23255964
(Z)-6-[dimethyl(phenyl)silyl]hex-5-en-2-one
CID 56926435
1-[4-[(Z)-2-[dimethyl(phenyl)silyl]ethenyl]phenyl]ethanone
CID 11652058
[(2S,3R,5R)-4-acetyloxy-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(hydroxymethyl)oxolan-3-yl] acetate
CID 58592657
[(4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[tert-butyl(diphenyl)silyl]oxyhex-2-ynyl] acetate
CID 11168444
CID 88569468
CID 88569468
[(E)-4-[dimethyl(phenyl)silyl]-3-formylbut-3-en-2-yl] acetate
CID 177387999
[acetyloxy-(aminomethyl)-phenylsilyl] acetate
CID 141215853

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-1-methylcyclopropyl] acetate?
The IUPAC name of [(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-1-methylcyclopropyl] acetate (CID 101178879) is [(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-1-methylcyclopropyl] acetate.
What is the SMILES notation for [(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-1-methylcyclopropyl] acetate?
The canonical SMILES for [(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-1-methylcyclopropyl] acetate is CC(=O)OC1(C)C[C@@]1(/C=C/[Si](C)(C)c1ccccc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-1-methylcyclopropyl] acetate?
The InChIKey is RGTUWBRFQZXROD-KQMFTCGESA-N. The full InChI is InChI=1S/C22H36O3Si2/c1-18(23)24-21(5)17-22(21,25-27(8,9)20(2,3)4)15-16-26(6,7)19-13-11-10-12-14-19/h10-16H,17H2,1-9H3/b16-15+/t21?,22-/m1/s1.
What are the key properties of [(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-1-methylcyclopropyl] acetate?
[(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-1-methylcyclopropyl] acetate has a molecular weight of 404.70 g/mol, XLogP of 5.18, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[tert-butyl(dimethyl)silyl]oxy-2-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-1-methylcyclopropyl] acetate is sourced from PubChem (CID 101178879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).