tert-butyl (2S,3S)-4-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-(prop-2-enoxymethyl)butanoate

C20H38O6Si — CID 87348682

IUPACtert-butyl (2S,3S)-4-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-(prop-2-enoxymethyl)butanoate
SMILESC=CCOCC(C(=O)OC(C)(C)C)[C@@H](COC(C)=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O6Si/c1-11-12-23-13-16(18(22)25-19(3,4)5)17(14-24-15(2)21)26-27(9,10)20(6,7)8/h11,16-17H,1,12-14H2,2-10H3/t16?,17-/m1/s1
InChIKeyIMQADXQOBHWVFJ-ZYMOGRSISA-N
MW402.60 g/mol
LogP4.10
Rot. Bonds10

About tert-butyl (2S,3S)-4-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-(prop-2-enoxymethyl)butanoate

tert-butyl (2S,3S)-4-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-(prop-2-enoxymethyl)butanoate (PubChem CID 87348682) has the molecular formula C20H38O6Si and a molecular weight of 402.60 g/mol. Its IUPAC name is tert-butyl (2S,3S)-4-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-(prop-2-enoxymethyl)butanoate.

Molecular Properties

Compound Nametert-butyl (2S,3S)-4-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-(prop-2-enoxymethyl)butanoate
PubChem CID87348682
Molecular FormulaC20H38O6Si
Molecular Weight402.60 g/mol
Exact Mass402.24
IUPAC Nametert-butyl (2S,3S)-4-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-(prop-2-enoxymethyl)butanoate
SMILESC=CCOCC(C(=O)OC(C)(C)C)[C@@H](COC(C)=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H38O6Si/c1-11-12-23-13-16(18(22)25-19(3,4)5)17(14-24-15(2)21)26-27(9,10)20(6,7)8/h11,16-17H,1,12-14H2,2-10H3/t16?,17-/m1/s1
InChIKeyIMQADXQOBHWVFJ-ZYMOGRSISA-N
XLogP4.10
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.60
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enylhex-5-ynoate
CID 50915307
tert-butyl N-[(2R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-prop-2-enoxypropan-2-yl]carbamate
CID 175984659
diethyl (2R,3R)-2-[tert-butyl(dimethyl)silyl]oxy-3-prop-2-enylbutanedioate
CID 11782898
[(2E,6E)-8-acetyloxy-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxyocta-2,6-dienyl] acetate
CID 6367320
tert-butyl (2S,4S,5S)-5-acetamido-2-azido-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate
CID 14805099
prop-2-enyl (2S,3R)-8-bromo-3-[tert-butyl(dimethyl)silyl]oxy-2-methyloct-7-ynoate
CID 66560282
tert-butyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxybutanoate
CID 24741474
2-[1-amino-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pent-4-enoic acid
CID 87779163
(2R)-3-[(2-methylpropan-2-yl)oxycarbonyl]-2-(2-methylpropyl)hex-5-enoic acid
CID 20658002
[(3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylnon-8-en-4-yl] (2R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 72722862
tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]carbamate
CID 156749640
tert-butyl (2R)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropanoate
CID 132916594

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,3S)-4-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-(prop-2-enoxymethyl)butanoate?
The IUPAC name of tert-butyl (2S,3S)-4-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-(prop-2-enoxymethyl)butanoate (CID 87348682) is tert-butyl (2S,3S)-4-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-(prop-2-enoxymethyl)butanoate.
What is the SMILES notation for tert-butyl (2S,3S)-4-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-(prop-2-enoxymethyl)butanoate?
The canonical SMILES for tert-butyl (2S,3S)-4-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-(prop-2-enoxymethyl)butanoate is C=CCOCC(C(=O)OC(C)(C)C)[C@@H](COC(C)=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl (2S,3S)-4-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-(prop-2-enoxymethyl)butanoate?
The InChIKey is IMQADXQOBHWVFJ-ZYMOGRSISA-N. The full InChI is InChI=1S/C20H38O6Si/c1-11-12-23-13-16(18(22)25-19(3,4)5)17(14-24-15(2)21)26-27(9,10)20(6,7)8/h11,16-17H,1,12-14H2,2-10H3/t16?,17-/m1/s1.
What are the key properties of tert-butyl (2S,3S)-4-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-(prop-2-enoxymethyl)butanoate?
tert-butyl (2S,3S)-4-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-(prop-2-enoxymethyl)butanoate has a molecular weight of 402.60 g/mol, XLogP of 4.10, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,3S)-4-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-(prop-2-enoxymethyl)butanoate is sourced from PubChem (CID 87348682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).