benzyl [(2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-4-methyl-5-oxooxolan-3-yl] carbonate

C20H30O7Si — CID 169299290

IUPACbenzyl [(2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-4-methyl-5-oxooxolan-3-yl] carbonate
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1OC(=O)[C@@](C)(O)[C@@H]1OC(=O)OCc1ccccc1
InChIInChI=1S/C20H30O7Si/c1-19(2,3)28(5,6)25-13-15-16(20(4,23)17(21)26-15)27-18(22)24-12-14-10-8-7-9-11-14/h7-11,15-16,23H,12-13H2,1-6H3/t15-,16-,20+/m1/s1
InChIKeyFHIXGNBAUVPRGV-QINHECLXSA-N
MW410.54 g/mol
LogP3.41
Rot. Bonds6

About benzyl [(2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-4-methyl-5-oxooxolan-3-yl] carbonate

benzyl [(2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-4-methyl-5-oxooxolan-3-yl] carbonate (PubChem CID 169299290) has the molecular formula C20H30O7Si and a molecular weight of 410.54 g/mol. Its IUPAC name is benzyl [(2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-4-methyl-5-oxooxolan-3-yl] carbonate.

Molecular Properties

Compound Namebenzyl [(2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-4-methyl-5-oxooxolan-3-yl] carbonate
PubChem CID169299290
Molecular FormulaC20H30O7Si
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC Namebenzyl [(2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-4-methyl-5-oxooxolan-3-yl] carbonate
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1OC(=O)[C@@](C)(O)[C@@H]1OC(=O)OCc1ccccc1
InChIInChI=1S/C20H30O7Si/c1-19(2,3)28(5,6)25-13-15-16(20(4,23)17(21)26-15)27-18(22)24-12-14-10-8-7-9-11-14/h7-11,15-16,23H,12-13H2,1-6H3/t15-,16-,20+/m1/s1
InChIKeyFHIXGNBAUVPRGV-QINHECLXSA-N
XLogP3.41
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(3S,4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-hydroxy-3-methyl-4-(pyridin-4-ylmethoxy)oxolan-2-one
CID 167358439
benzyl [(2R,3S,5R)-5-methoxy-4,4-dimethyl-2-(phenylmethoxycarbonyloxymethyl)oxolan-3-yl] carbonate
CID 170293619
tert-butyl [(2R,3R,4S)-4-hydroxy-4-methyl-5-oxo-2-[tri(propan-2-yl)silyloxymethyl]oxolan-3-yl] carbonate
CID 169299199
[(2R,3R,4S)-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-4-methyl-5-oxooxolan-2-yl]methyl hexadecyl carbonate
CID 169299237
benzyl N-[(1S,4R,5S,7S)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-6,8-dioxabicyclo[3.2.1]oct-2-en-4-yl]carbamate
CID 101133628
benzyl (4R)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxo-1,3-oxazolidine-3-carboxylate
CID 102150396
benzyl [2-[5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-3-yl]-2-oxoethyl] carbonate
CID 141251927
[(2R,3S)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-phenylmethoxyaziridin-2-yl]methyl acetate
CID 101002260
benzyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopiperidine-1-carboxylate
CID 52915467
benzyl 6-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-azaspiro[2.4]heptane-5-carboxylate
CID 171372709
benzyl N-[2-[[(2S,3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]oxiran-2-yl]methyl]phenyl]carbamate
CID 11796759
(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 benzyl [(2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-4-methyl-5-oxooxolan-3-yl] carbonate?
The IUPAC name of benzyl [(2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-4-methyl-5-oxooxolan-3-yl] carbonate (CID 169299290) is benzyl [(2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-4-methyl-5-oxooxolan-3-yl] carbonate.
What is the SMILES notation for benzyl [(2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-4-methyl-5-oxooxolan-3-yl] carbonate?
The canonical SMILES for benzyl [(2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-4-methyl-5-oxooxolan-3-yl] carbonate is CC(C)(C)[Si](C)(C)OC[C@H]1OC(=O)[C@@](C)(O)[C@@H]1OC(=O)OCc1ccccc1.
What is the InChIKey of benzyl [(2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-4-methyl-5-oxooxolan-3-yl] carbonate?
The InChIKey is FHIXGNBAUVPRGV-QINHECLXSA-N. The full InChI is InChI=1S/C20H30O7Si/c1-19(2,3)28(5,6)25-13-15-16(20(4,23)17(21)26-15)27-18(22)24-12-14-10-8-7-9-11-14/h7-11,15-16,23H,12-13H2,1-6H3/t15-,16-,20+/m1/s1.
What are the key properties of benzyl [(2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-4-methyl-5-oxooxolan-3-yl] carbonate?
benzyl [(2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-4-methyl-5-oxooxolan-3-yl] carbonate has a molecular weight of 410.54 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl [(2R,3R,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-hydroxy-4-methyl-5-oxooxolan-3-yl] carbonate is sourced from PubChem (CID 169299290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).