tert-butyl [(2R,3R,4S)-4-hydroxy-4-methyl-5-oxo-2-[tri(propan-2-yl)silyloxymethyl]oxolan-3-yl] carbonate

C20H38O7Si — CID 169299199

IUPACtert-butyl [(2R,3R,4S)-4-hydroxy-4-methyl-5-oxo-2-[tri(propan-2-yl)silyloxymethyl]oxolan-3-yl] carbonate
SMILESCC(C)[Si](OC[C@H]1OC(=O)[C@@](C)(O)[C@@H]1OC(=O)OC(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H38O7Si/c1-12(2)28(13(3)4,14(5)6)24-11-15-16(20(10,23)17(21)25-15)26-18(22)27-19(7,8)9/h12-16,23H,11H2,1-10H3/t15-,16-,20+/m1/s1
InChIKeyOORUZJUFUXXIQM-QINHECLXSA-N
MW418.60 g/mol
LogP4.18
Rot. Bonds7

About tert-butyl [(2R,3R,4S)-4-hydroxy-4-methyl-5-oxo-2-[tri(propan-2-yl)silyloxymethyl]oxolan-3-yl] carbonate

tert-butyl [(2R,3R,4S)-4-hydroxy-4-methyl-5-oxo-2-[tri(propan-2-yl)silyloxymethyl]oxolan-3-yl] carbonate (PubChem CID 169299199) has the molecular formula C20H38O7Si and a molecular weight of 418.60 g/mol. Its IUPAC name is tert-butyl [(2R,3R,4S)-4-hydroxy-4-methyl-5-oxo-2-[tri(propan-2-yl)silyloxymethyl]oxolan-3-yl] carbonate.

Molecular Properties

Compound Nametert-butyl [(2R,3R,4S)-4-hydroxy-4-methyl-5-oxo-2-[tri(propan-2-yl)silyloxymethyl]oxolan-3-yl] carbonate
PubChem CID169299199
Molecular FormulaC20H38O7Si
Molecular Weight418.60 g/mol
Exact Mass418.24
IUPAC Nametert-butyl [(2R,3R,4S)-4-hydroxy-4-methyl-5-oxo-2-[tri(propan-2-yl)silyloxymethyl]oxolan-3-yl] carbonate
SMILESCC(C)[Si](OC[C@H]1OC(=O)[C@@](C)(O)[C@@H]1OC(=O)OC(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H38O7Si/c1-12(2)28(13(3)4,14(5)6)24-11-15-16(20(10,23)17(21)25-15)26-18(22)27-19(7,8)9/h12-16,23H,11H2,1-10H3/t15-,16-,20+/m1/s1
InChIKeyOORUZJUFUXXIQM-QINHECLXSA-N
XLogP4.18
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.60
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl [(2R,3R,4S)-4-hydroxy-4-methyl-5-oxo-2-[tri(propan-2-yl)silyloxymethyl]oxolan-3-yl] carbonate?
The IUPAC name of tert-butyl [(2R,3R,4S)-4-hydroxy-4-methyl-5-oxo-2-[tri(propan-2-yl)silyloxymethyl]oxolan-3-yl] carbonate (CID 169299199) is tert-butyl [(2R,3R,4S)-4-hydroxy-4-methyl-5-oxo-2-[tri(propan-2-yl)silyloxymethyl]oxolan-3-yl] carbonate.
What is the SMILES notation for tert-butyl [(2R,3R,4S)-4-hydroxy-4-methyl-5-oxo-2-[tri(propan-2-yl)silyloxymethyl]oxolan-3-yl] carbonate?
The canonical SMILES for tert-butyl [(2R,3R,4S)-4-hydroxy-4-methyl-5-oxo-2-[tri(propan-2-yl)silyloxymethyl]oxolan-3-yl] carbonate is CC(C)[Si](OC[C@H]1OC(=O)[C@@](C)(O)[C@@H]1OC(=O)OC(C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of tert-butyl [(2R,3R,4S)-4-hydroxy-4-methyl-5-oxo-2-[tri(propan-2-yl)silyloxymethyl]oxolan-3-yl] carbonate?
The InChIKey is OORUZJUFUXXIQM-QINHECLXSA-N. The full InChI is InChI=1S/C20H38O7Si/c1-12(2)28(13(3)4,14(5)6)24-11-15-16(20(10,23)17(21)25-15)26-18(22)27-19(7,8)9/h12-16,23H,11H2,1-10H3/t15-,16-,20+/m1/s1.
What are the key properties of tert-butyl [(2R,3R,4S)-4-hydroxy-4-methyl-5-oxo-2-[tri(propan-2-yl)silyloxymethyl]oxolan-3-yl] carbonate?
tert-butyl [(2R,3R,4S)-4-hydroxy-4-methyl-5-oxo-2-[tri(propan-2-yl)silyloxymethyl]oxolan-3-yl] carbonate has a molecular weight of 418.60 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl [(2R,3R,4S)-4-hydroxy-4-methyl-5-oxo-2-[tri(propan-2-yl)silyloxymethyl]oxolan-3-yl] carbonate is sourced from PubChem (CID 169299199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).