dimethyl-[(2S,3R,5S,6R)-6-[(2-methylpropan-2-yl)oxymethyl]-5-phenylmethoxy-3-prop-2-enoxyoxan-2-yl]oxysilane

C22H36O5Si — CID 170851237

IUPACdimethyl-[(2S,3R,5S,6R)-6-[(2-methylpropan-2-yl)oxymethyl]-5-phenylmethoxy-3-prop-2-enoxyoxan-2-yl]oxysilane
SMILESC=CCO[C@@H]1C[C@H](OCc2ccccc2)[C@@H](COC(C)(C)C)O[C@H]1O[SiH](C)C
InChIInChI=1S/C22H36O5Si/c1-7-13-23-19-14-18(24-15-17-11-9-8-10-12-17)20(16-25-22(2,3)4)26-21(19)27-28(5)6/h7-12,18-21,28H,1,13-16H2,2-6H3/t18-,19+,20+,21-/m0/s1
InChIKeyCCTKOBZUTMZNKB-BQJUDKOJSA-N
MW408.61 g/mol
LogP4.07
Rot. Bonds10

About dimethyl-[(2S,3R,5S,6R)-6-[(2-methylpropan-2-yl)oxymethyl]-5-phenylmethoxy-3-prop-2-enoxyoxan-2-yl]oxysilane

dimethyl-[(2S,3R,5S,6R)-6-[(2-methylpropan-2-yl)oxymethyl]-5-phenylmethoxy-3-prop-2-enoxyoxan-2-yl]oxysilane (PubChem CID 170851237) has the molecular formula C22H36O5Si and a molecular weight of 408.61 g/mol. Its IUPAC name is dimethyl-[(2S,3R,5S,6R)-6-[(2-methylpropan-2-yl)oxymethyl]-5-phenylmethoxy-3-prop-2-enoxyoxan-2-yl]oxysilane.

Molecular Properties

Compound Namedimethyl-[(2S,3R,5S,6R)-6-[(2-methylpropan-2-yl)oxymethyl]-5-phenylmethoxy-3-prop-2-enoxyoxan-2-yl]oxysilane
PubChem CID170851237
Molecular FormulaC22H36O5Si
Molecular Weight408.61 g/mol
Exact Mass408.23
IUPAC Namedimethyl-[(2S,3R,5S,6R)-6-[(2-methylpropan-2-yl)oxymethyl]-5-phenylmethoxy-3-prop-2-enoxyoxan-2-yl]oxysilane
SMILESC=CCO[C@@H]1C[C@H](OCc2ccccc2)[C@@H](COC(C)(C)C)O[C@H]1O[SiH](C)C
InChIInChI=1S/C22H36O5Si/c1-7-13-23-19-14-18(24-15-17-11-9-8-10-12-17)20(16-25-22(2,3)4)26-21(19)27-28(5)6/h7-12,18-21,28H,1,13-16H2,2-6H3/t18-,19+,20+,21-/m0/s1
InChIKeyCCTKOBZUTMZNKB-BQJUDKOJSA-N
XLogP4.07
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.61
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

[(2R,3R,4R,5R,6S)-6-methoxy-2-[(2-methylpropan-2-yl)oxymethyl]-4,5-bis(phenylmethoxy)oxan-3-yl]oxy-diphenylsilane
CID 173090939
(2S,3R,4S,5R,6R)-2-methoxy-3,4-bis(phenylmethoxy)-5-prop-2-enoxy-6-(trityloxymethyl)oxane
CID 15947732
(2S,3S,5R,6S)-2-(iodomethyl)-6-methoxy-3,5-bis(phenylmethoxy)oxane
CID 10917646
(2R,3S,5R,6S)-3-methoxy-2-(methoxymethyl)-5-phenylmethoxy-6-prop-2-enyloxane
CID 11771197
(2R,3S,5R)-5-ethenyl-3-phenylmethoxy-2-(phenylmethoxymethyl)oxolane
CID 11771686
(2R,3R,4S,5R,6S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-5,6-bis(prop-2-enoxy)oxane
CID 67465607
[(2R,3S,5R,6S)-3-(2,2-dimethylpropanoyloxy)-5-phenylmethoxy-6-prop-2-enyloxan-2-yl]methyl 2,2-dimethylpropanoate
CID 11316787
[(2R,3R,4S,5R,6R)-2-bromo-6-[(2-methylpropan-2-yl)oxymethyl]-3,4,5-tris(phenylmethoxy)oxan-2-yl]-dimethylsilane
CID 173333738
(5R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enoxyoxan-3-ol
CID 134865887
(2S,3R,4S,6S)-3,4-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enoxyoxane
CID 70186984
(2S,3S,4R,5R,6R)-4-phenylmethoxy-3,5-bis(prop-2-enoxy)-2-prop-2-enyl-6-(trityloxymethyl)oxane
CID 11072183
[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-prop-2-enoxyoxan-2-yl]methyl acetate
CID 71732637

Frequently Asked Questions

What is the IUPAC name of dimethyl-[(2S,3R,5S,6R)-6-[(2-methylpropan-2-yl)oxymethyl]-5-phenylmethoxy-3-prop-2-enoxyoxan-2-yl]oxysilane?
The IUPAC name of dimethyl-[(2S,3R,5S,6R)-6-[(2-methylpropan-2-yl)oxymethyl]-5-phenylmethoxy-3-prop-2-enoxyoxan-2-yl]oxysilane (CID 170851237) is dimethyl-[(2S,3R,5S,6R)-6-[(2-methylpropan-2-yl)oxymethyl]-5-phenylmethoxy-3-prop-2-enoxyoxan-2-yl]oxysilane.
What is the SMILES notation for dimethyl-[(2S,3R,5S,6R)-6-[(2-methylpropan-2-yl)oxymethyl]-5-phenylmethoxy-3-prop-2-enoxyoxan-2-yl]oxysilane?
The canonical SMILES for dimethyl-[(2S,3R,5S,6R)-6-[(2-methylpropan-2-yl)oxymethyl]-5-phenylmethoxy-3-prop-2-enoxyoxan-2-yl]oxysilane is C=CCO[C@@H]1C[C@H](OCc2ccccc2)[C@@H](COC(C)(C)C)O[C@H]1O[SiH](C)C.
What is the InChIKey of dimethyl-[(2S,3R,5S,6R)-6-[(2-methylpropan-2-yl)oxymethyl]-5-phenylmethoxy-3-prop-2-enoxyoxan-2-yl]oxysilane?
The InChIKey is CCTKOBZUTMZNKB-BQJUDKOJSA-N. The full InChI is InChI=1S/C22H36O5Si/c1-7-13-23-19-14-18(24-15-17-11-9-8-10-12-17)20(16-25-22(2,3)4)26-21(19)27-28(5)6/h7-12,18-21,28H,1,13-16H2,2-6H3/t18-,19+,20+,21-/m0/s1.
What are the key properties of dimethyl-[(2S,3R,5S,6R)-6-[(2-methylpropan-2-yl)oxymethyl]-5-phenylmethoxy-3-prop-2-enoxyoxan-2-yl]oxysilane?
dimethyl-[(2S,3R,5S,6R)-6-[(2-methylpropan-2-yl)oxymethyl]-5-phenylmethoxy-3-prop-2-enoxyoxan-2-yl]oxysilane has a molecular weight of 408.61 g/mol, XLogP of 4.07, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[(2S,3R,5S,6R)-6-[(2-methylpropan-2-yl)oxymethyl]-5-phenylmethoxy-3-prop-2-enoxyoxan-2-yl]oxysilane is sourced from PubChem (CID 170851237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).