prop-2-enyl (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoate

C22H28O3Si — CID 11079127

IUPACprop-2-enyl (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoate
SMILESC=CCOC(=O)[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H28O3Si/c1-6-17-24-21(23)18(2)25-26(22(3,4)5,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h6-16,18H,1,17H2,2-5H3/t18-/m0/s1
InChIKeyHRJVGDOERSTKOY-SFHVURJKSA-N
MW368.55 g/mol
LogP3.68
Rot. Bonds7

About prop-2-enyl (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoate

prop-2-enyl (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoate (PubChem CID 11079127) has the molecular formula C22H28O3Si and a molecular weight of 368.55 g/mol. Its IUPAC name is prop-2-enyl (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoate.

Molecular Properties

Compound Nameprop-2-enyl (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoate
PubChem CID11079127
Molecular FormulaC22H28O3Si
Molecular Weight368.55 g/mol
Exact Mass368.18
IUPAC Nameprop-2-enyl (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoate
SMILESC=CCOC(=O)[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H28O3Si/c1-6-17-24-21(23)18(2)25-26(22(3,4)5,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h6-16,18H,1,17H2,2-5H3/t18-/m0/s1
InChIKeyHRJVGDOERSTKOY-SFHVURJKSA-N
XLogP3.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.55
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl (2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoate
CID 140818496
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid
CID 140927189
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid
CID 140818581
(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid
CID 140818524
prop-2-enyl (3S,5R)-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]-6-oxohexanoate
CID 14669635
[(Z,4S)-4-[tert-butyl(diphenyl)silyl]oxypent-2-enyl] methyl carbonate
CID 101376664
prop-2-enyl 2-acetyl-5-[tert-butyl(diphenyl)silyl]oxypentanoate
CID 58842048
4-[tert-butyl(diphenyl)silyl]oxybut-2-enyl 2-methylpropanoate
CID 66656955
(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-ol
CID 102030687
(1R,2S,4S)-4-[tert-butyl(diphenyl)silyl]oxy-1-hydroxy-2-methyl-1-phenylpentan-3-one
CID 101072666
(2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-4-en-1-ol
CID 175160919
benzyl (2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoate;benzyl (2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoate;(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid;(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2R)-2-[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoyl]oxypropanoic acid;[(2R)-1-oxo-1-[(2R)-1-oxo-1-[(2R)-1-oxo-1-[(2R)-1-oxo-1-[(2R)-1-oxo-1-phenylmethoxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl] (2S)-2-hydroxypropanoate
CID 160915422

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoate?
The IUPAC name of prop-2-enyl (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoate (CID 11079127) is prop-2-enyl (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoate.
What is the SMILES notation for prop-2-enyl (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoate?
The canonical SMILES for prop-2-enyl (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoate is C=CCOC(=O)[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of prop-2-enyl (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoate?
The InChIKey is HRJVGDOERSTKOY-SFHVURJKSA-N. The full InChI is InChI=1S/C22H28O3Si/c1-6-17-24-21(23)18(2)25-26(22(3,4)5,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h6-16,18H,1,17H2,2-5H3/t18-/m0/s1.
What are the key properties of prop-2-enyl (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoate?
prop-2-enyl (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoate has a molecular weight of 368.55 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoate is sourced from PubChem (CID 11079127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).