[(2R,3R,4R)-3,4-bis[[tert-butyl(diphenyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methyl formate

C39H46O5Si2 — CID 10628040

IUPAC[(2R,3R,4R)-3,4-bis[[tert-butyl(diphenyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methyl formate
SMILESCC(C)(C)[Si](O[C@H]1[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C=CO[C@@H]1COC=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C39H46O5Si2/c1-38(2,3)45(31-19-11-7-12-20-31,32-21-13-8-14-22-32)43-35-27-28-42-36(29-41-30-40)37(35)44-46(39(4,5)6,33-23-15-9-16-24-33)34-25-17-10-18-26-34/h7-28,30,35-37H,29H2,1-6H3/t35-,36-,37+/m1/s1
InChIKeyMVBWZPBZWOJUBN-RQOYOAKWSA-N
MW650.96 g/mol
LogP5.96
Rot. Bonds11

About [(2R,3R,4R)-3,4-bis[[tert-butyl(diphenyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methyl formate

[(2R,3R,4R)-3,4-bis[[tert-butyl(diphenyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methyl formate (PubChem CID 10628040) has the molecular formula C39H46O5Si2 and a molecular weight of 650.96 g/mol. Its IUPAC name is [(2R,3R,4R)-3,4-bis[[tert-butyl(diphenyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methyl formate.

Molecular Properties

Compound Name[(2R,3R,4R)-3,4-bis[[tert-butyl(diphenyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methyl formate
PubChem CID10628040
Molecular FormulaC39H46O5Si2
Molecular Weight650.96 g/mol
Exact Mass650.29
IUPAC Name[(2R,3R,4R)-3,4-bis[[tert-butyl(diphenyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methyl formate
SMILESCC(C)(C)[Si](O[C@H]1[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C=CO[C@@H]1COC=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C39H46O5Si2/c1-38(2,3)45(31-19-11-7-12-20-31,32-21-13-8-14-22-32)43-35-27-28-42-36(29-41-30-40)37(35)44-46(39(4,5)6,33-23-15-9-16-24-33)34-25-17-10-18-26-34/h7-28,30,35-37H,29H2,1-6H3/t35-,36-,37+/m1/s1
InChIKeyMVBWZPBZWOJUBN-RQOYOAKWSA-N
XLogP5.96
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.96
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydrofuran-2-yl]methoxy]-diphenylsilane
CID 102304224
(2S,3R,4R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,4-dihydro-2H-pyran-3,4-diol
CID 99774565
(2S,3R,4R,5R)-3,4-bis[[tert-butyl(diphenyl)silyl]oxy]-5-(trityloxymethyl)oxolane-2-carbaldehyde
CID 10930945
[(1R,3R,4R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[tert-butyl(diphenyl)silyl]oxy-2-methylidenecyclopentyl] formate
CID 56655331
[(1R,2S,3R)-2-[tert-butyl(diphenyl)silyl]oxy-3-formylcyclobutyl]methyl acetate
CID 23255964
(2S,3S,4S,5R,6R)-4,5-bis[[tert-butyl(diphenyl)silyl]oxy]-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-iodooxan-2-ol
CID 171122436
tert-butyl-(3-oxabicyclo[3.2.1]octan-8-yloxy)-diphenylsilane
CID 171553746
cis-(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carbaldehyde
CID 58018792
(3S,4S,5S,6S)-3-[tert-butyl(diphenyl)silyl]oxy-6-(hydroxymethyl)oxane-2,4,5-triol
CID 10811969
(2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-1,2,3,6-tetrahydropyridine-2-carboxylic acid
CID 102031533
[(4aR,8R,8aR)-spiro[4,4a,8,8a-tetrahydropyrano[3,2-d][1,3]dioxine-2,1'-cyclohexane]-8-yl]oxy-tert-butyl-diphenylsilane
CID 99738182
[(3S,4R,5R,6S)-5-[tert-butyl(diphenyl)silyl]oxy-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,4-dihydroxyoxan-3-yl] acetate
CID 134931192

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R)-3,4-bis[[tert-butyl(diphenyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methyl formate?
The IUPAC name of [(2R,3R,4R)-3,4-bis[[tert-butyl(diphenyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methyl formate (CID 10628040) is [(2R,3R,4R)-3,4-bis[[tert-butyl(diphenyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methyl formate.
What is the SMILES notation for [(2R,3R,4R)-3,4-bis[[tert-butyl(diphenyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methyl formate?
The canonical SMILES for [(2R,3R,4R)-3,4-bis[[tert-butyl(diphenyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methyl formate is CC(C)(C)[Si](O[C@H]1[C@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C=CO[C@@H]1COC=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(2R,3R,4R)-3,4-bis[[tert-butyl(diphenyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methyl formate?
The InChIKey is MVBWZPBZWOJUBN-RQOYOAKWSA-N. The full InChI is InChI=1S/C39H46O5Si2/c1-38(2,3)45(31-19-11-7-12-20-31,32-21-13-8-14-22-32)43-35-27-28-42-36(29-41-30-40)37(35)44-46(39(4,5)6,33-23-15-9-16-24-33)34-25-17-10-18-26-34/h7-28,30,35-37H,29H2,1-6H3/t35-,36-,37+/m1/s1.
What are the key properties of [(2R,3R,4R)-3,4-bis[[tert-butyl(diphenyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methyl formate?
[(2R,3R,4R)-3,4-bis[[tert-butyl(diphenyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methyl formate has a molecular weight of 650.96 g/mol, XLogP of 5.96, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R)-3,4-bis[[tert-butyl(diphenyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-yl]methyl formate is sourced from PubChem (CID 10628040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).