methyl (2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-oxo-2-prop-2-enyloxolane-2-carboxylate

C22H42O6Si2 — CID 102142362

IUPACmethyl (2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-oxo-2-prop-2-enyloxolane-2-carboxylate
SMILESC=CC[C@@]1(C(=O)OC)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C1=O
InChIInChI=1S/C22H42O6Si2/c1-13-14-22(19(24)25-8)18(23)17(28-30(11,12)21(5,6)7)16(27-22)15-26-29(9,10)20(2,3)4/h13,16-17H,1,14-15H2,2-12H3/t16-,17-,22-/m1/s1
InChIKeyQZMYGHVCHODNDE-DRSNIGMVSA-N
MW458.74 g/mol
LogP4.85
Rot. Bonds8

About methyl (2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-oxo-2-prop-2-enyloxolane-2-carboxylate

methyl (2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-oxo-2-prop-2-enyloxolane-2-carboxylate (PubChem CID 102142362) has the molecular formula C22H42O6Si2 and a molecular weight of 458.74 g/mol. Its IUPAC name is methyl (2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-oxo-2-prop-2-enyloxolane-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-oxo-2-prop-2-enyloxolane-2-carboxylate
PubChem CID102142362
Molecular FormulaC22H42O6Si2
Molecular Weight458.74 g/mol
Exact Mass458.25
IUPAC Namemethyl (2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-oxo-2-prop-2-enyloxolane-2-carboxylate
SMILESC=CC[C@@]1(C(=O)OC)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C1=O
InChIInChI=1S/C22H42O6Si2/c1-13-14-22(19(24)25-8)18(23)17(28-30(11,12)21(5,6)7)16(27-22)15-26-29(9,10)20(2,3)4/h13,16-17H,1,14-15H2,2-12H3/t16-,17-,22-/m1/s1
InChIKeyQZMYGHVCHODNDE-DRSNIGMVSA-N
XLogP4.85
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.74
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl (2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-oxo-2-prop-2-enyloxolane-2-carboxylate with MolForge

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Related Compounds

tert-butyl-[[(4R,5R)-2,2-dimethyl-5-prop-2-enyl-1,3-dioxolan-4-yl]methoxy]-dimethylsilane
CID 53360059
methyl (2S,3S,4R,5R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(carbamoylamino)oxolane-2-carboxylate
CID 10864888
(2S,3R,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-5-prop-2-enyloxolan-3-ol
CID 57385207
methyl (2S,3S,4R,5R)-2-azido-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolane-2-carboxylate
CID 100984962
methyl (1S,2R,4aR,5R,6S,8aS)-6-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-ethenyl-1,5,8a-trimethyl-3,4,4a,6,7,8-hexahydro-2H-naphthalene-1-carboxylate
CID 11478239
[(2R,4R,5R)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-enyloxan-3-yl]oxy-tert-butyl-dimethylsilane
CID 140547133
methyl 2-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylcyclohept-2-ene-1-carboxylate
CID 11324801
dimethyl (3aR,7S)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-8-methyl-3,3a,6,7-tetrahydro-1H-azulene-2,2-dicarboxylate
CID 101056038
methyl (2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-methylidene-5-oxopyrrolidine-2-carboxylate
CID 11392848
(3S,4R,5R)-3-bromo-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-chlorooxolan-2-one
CID 140775730
cis-methyl (3R,5S)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-hydroxy-4-methylidenecyclohexane-1-carboxylate
CID 91867254
methyl 2-[(3aR,4R,6S,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]acetate
CID 56648197

Frequently Asked Questions

What is the IUPAC name of methyl (2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-oxo-2-prop-2-enyloxolane-2-carboxylate?
The IUPAC name of methyl (2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-oxo-2-prop-2-enyloxolane-2-carboxylate (CID 102142362) is methyl (2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-oxo-2-prop-2-enyloxolane-2-carboxylate.
What is the SMILES notation for methyl (2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-oxo-2-prop-2-enyloxolane-2-carboxylate?
The canonical SMILES for methyl (2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-oxo-2-prop-2-enyloxolane-2-carboxylate is C=CC[C@@]1(C(=O)OC)O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)C1=O.
What is the InChIKey of methyl (2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-oxo-2-prop-2-enyloxolane-2-carboxylate?
The InChIKey is QZMYGHVCHODNDE-DRSNIGMVSA-N. The full InChI is InChI=1S/C22H42O6Si2/c1-13-14-22(19(24)25-8)18(23)17(28-30(11,12)21(5,6)7)16(27-22)15-26-29(9,10)20(2,3)4/h13,16-17H,1,14-15H2,2-12H3/t16-,17-,22-/m1/s1.
What are the key properties of methyl (2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-oxo-2-prop-2-enyloxolane-2-carboxylate?
methyl (2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-oxo-2-prop-2-enyloxolane-2-carboxylate has a molecular weight of 458.74 g/mol, XLogP of 4.85, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,4R,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-oxo-2-prop-2-enyloxolane-2-carboxylate is sourced from PubChem (CID 102142362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).