tert-butyl-dimethyl-[[(2R,3R,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-prop-2-enyloxan-2-yl]methoxy]silane

C36H48O5Si — CID 72723984

IUPACtert-butyl-dimethyl-[[(2R,3R,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-prop-2-enyloxan-2-yl]methoxy]silane
SMILESC=CC[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C36H48O5Si/c1-7-17-31-33(37-24-28-18-11-8-12-19-28)35(39-26-30-22-15-10-16-23-30)34(38-25-29-20-13-9-14-21-29)32(41-31)27-40-42(5,6)36(2,3)4/h7-16,18-23,31-35H,1,17,24-27H2,2-6H3/t31-,32-,33+,34-,35-/m1/s1
InChIKeyDJOHWIHUFGTXKV-CKQPALCZSA-N
MW588.86 g/mol
LogP8.11
Rot. Bonds14

About tert-butyl-dimethyl-[[(2R,3R,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-prop-2-enyloxan-2-yl]methoxy]silane

tert-butyl-dimethyl-[[(2R,3R,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-prop-2-enyloxan-2-yl]methoxy]silane (PubChem CID 72723984) has the molecular formula C36H48O5Si and a molecular weight of 588.86 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(2R,3R,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-prop-2-enyloxan-2-yl]methoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(2R,3R,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-prop-2-enyloxan-2-yl]methoxy]silane
PubChem CID72723984
Molecular FormulaC36H48O5Si
Molecular Weight588.86 g/mol
Exact Mass588.33
IUPAC Nametert-butyl-dimethyl-[[(2R,3R,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-prop-2-enyloxan-2-yl]methoxy]silane
SMILESC=CC[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C36H48O5Si/c1-7-17-31-33(37-24-28-18-11-8-12-19-28)35(39-26-30-22-15-10-16-23-30)34(38-25-29-20-13-9-14-21-29)32(41-31)27-40-42(5,6)36(2,3)4/h7-16,18-23,31-35H,1,17,24-27H2,2-6H3/t31-,32-,33+,34-,35-/m1/s1
InChIKeyDJOHWIHUFGTXKV-CKQPALCZSA-N
XLogP8.11
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.86
LogP ≤ 58.11
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

[(2S,3S,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-phenylmethoxy-2-prop-2-enyloxolan-3-yl]methanesulfonic acid
CID 122224046
(2R,3R,4S,5R)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)-5-prop-2-enyloxolane
CID 11048522
(2S,3S,4R,5R,6R)-4-phenylmethoxy-3,5-bis(prop-2-enoxy)-2-prop-2-enyl-6-(trityloxymethyl)oxane
CID 11072183
(3R,4S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,6-dimethyl-5-phenylmethoxyoxan-3-ol
CID 58292429
[6-(3-azidopropyl)-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy-tert-butyl-dimethylsilane
CID 22498114
tert-butyl-dimethyl-[4-[(2R,3R,4S,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxybutoxy]silane
CID 178166627
(2S,3R,4R,5S,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enyloxan-3-amine
CID 10838227
[(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
(3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanal
CID 11650644
tert-butyl-[[(3S,4S)-3,4-dimethyl-5,6-bis(phenylmethoxy)oxan-2-yl]methoxy]-dimethylsilane
CID 158326767
(2S,3S,4R,5S,6S)-3-(2-ethoxyethoxy)-4,5-bis(phenylmethoxy)-6-prop-2-enyloxane-2-carbaldehyde
CID 101162056
(3S,4S,6S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,6-dimethyl-4-phenylmethoxyoxan-3-ol
CID 91067670

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[(2R,3R,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-prop-2-enyloxan-2-yl]methoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(2R,3R,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-prop-2-enyloxan-2-yl]methoxy]silane (CID 72723984) is tert-butyl-dimethyl-[[(2R,3R,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-prop-2-enyloxan-2-yl]methoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(2R,3R,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-prop-2-enyloxan-2-yl]methoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(2R,3R,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-prop-2-enyloxan-2-yl]methoxy]silane is C=CC[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of tert-butyl-dimethyl-[[(2R,3R,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-prop-2-enyloxan-2-yl]methoxy]silane?
The InChIKey is DJOHWIHUFGTXKV-CKQPALCZSA-N. The full InChI is InChI=1S/C36H48O5Si/c1-7-17-31-33(37-24-28-18-11-8-12-19-28)35(39-26-30-22-15-10-16-23-30)34(38-25-29-20-13-9-14-21-29)32(41-31)27-40-42(5,6)36(2,3)4/h7-16,18-23,31-35H,1,17,24-27H2,2-6H3/t31-,32-,33+,34-,35-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[[(2R,3R,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-prop-2-enyloxan-2-yl]methoxy]silane?
tert-butyl-dimethyl-[[(2R,3R,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-prop-2-enyloxan-2-yl]methoxy]silane has a molecular weight of 588.86 g/mol, XLogP of 8.11, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(2R,3R,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-prop-2-enyloxan-2-yl]methoxy]silane is sourced from PubChem (CID 72723984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).