prop-2-enyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-diethoxyphosphoryloxypropanoate

C16H33O7PSi — CID 101138901

IUPACprop-2-enyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-diethoxyphosphoryloxypropanoate
SMILESC=CCOC(=O)[C@H](COP(=O)(OCC)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H33O7PSi/c1-9-12-19-15(17)14(23-25(7,8)16(4,5)6)13-22-24(18,20-10-2)21-11-3/h9,14H,1,10-13H2,2-8H3/t14-/m0/s1
InChIKeyMILCUENLMKPDRS-AWEZNQCLSA-N
MW396.49 g/mol
LogP4.30
Rot. Bonds12

About prop-2-enyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-diethoxyphosphoryloxypropanoate

prop-2-enyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-diethoxyphosphoryloxypropanoate (PubChem CID 101138901) has the molecular formula C16H33O7PSi and a molecular weight of 396.49 g/mol. Its IUPAC name is prop-2-enyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-diethoxyphosphoryloxypropanoate.

Molecular Properties

Compound Nameprop-2-enyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-diethoxyphosphoryloxypropanoate
PubChem CID101138901
Molecular FormulaC16H33O7PSi
Molecular Weight396.49 g/mol
Exact Mass396.17
IUPAC Nameprop-2-enyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-diethoxyphosphoryloxypropanoate
SMILESC=CCOC(=O)[C@H](COP(=O)(OCC)OCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H33O7PSi/c1-9-12-19-15(17)14(23-25(7,8)16(4,5)6)13-22-24(18,20-10-2)21-11-3/h9,14H,1,10-13H2,2-8H3/t14-/m0/s1
InChIKeyMILCUENLMKPDRS-AWEZNQCLSA-N
XLogP4.30
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

bis(prop-2-enyl) carbonate;triethyl phosphate
CID 174813432
diethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylbutanedioate
CID 11782898
[tert-butyl(dimethyl)silyl] 2-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 590026
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-yloxypropanoate
CID 59279534
ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 15382070
tert-butyl-[1-[ethoxy(ethyl)phosphoryl]oxyprop-2-enoxy]-dimethylsilane
CID 57238883
carbonic acid;prop-1-ene;triethyl phosphate
CID 174925075
[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] ethyl carbonate
CID 53231197
prop-2-enyl (Z)-4,7-bis[[tert-butyl(dimethyl)silyl]oxy]-3-methylhept-2-enoate
CID 71544922
(2R)-2-[tert-butyl(dimethyl)silyl]oxybutanoic acid
CID 87507546
methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoate
CID 140509933
3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoic acid
CID 14110577

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-diethoxyphosphoryloxypropanoate?
The IUPAC name of prop-2-enyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-diethoxyphosphoryloxypropanoate (CID 101138901) is prop-2-enyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-diethoxyphosphoryloxypropanoate.
What is the SMILES notation for prop-2-enyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-diethoxyphosphoryloxypropanoate?
The canonical SMILES for prop-2-enyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-diethoxyphosphoryloxypropanoate is C=CCOC(=O)[C@H](COP(=O)(OCC)OCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of prop-2-enyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-diethoxyphosphoryloxypropanoate?
The InChIKey is MILCUENLMKPDRS-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H33O7PSi/c1-9-12-19-15(17)14(23-25(7,8)16(4,5)6)13-22-24(18,20-10-2)21-11-3/h9,14H,1,10-13H2,2-8H3/t14-/m0/s1.
What are the key properties of prop-2-enyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-diethoxyphosphoryloxypropanoate?
prop-2-enyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-diethoxyphosphoryloxypropanoate has a molecular weight of 396.49 g/mol, XLogP of 4.30, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-diethoxyphosphoryloxypropanoate is sourced from PubChem (CID 101138901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).