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

C14H26O7Si — CID 169299200

IUPAC[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-4-methyl-5-oxooxolan-2-yl]methyl methyl carbonate
SMILESCOC(=O)OC[C@H]1OC(=O)[C@@](C)(O)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O7Si/c1-13(2,3)22(6,7)21-10-9(8-19-12(16)18-5)20-11(15)14(10,4)17/h9-10,17H,8H2,1-7H3/t9-,10-,14+/m1/s1
InChIKeyVPNILYPJHRNLMO-RULNRJAQSA-N
MW334.44 g/mol
LogP1.84
Rot. Bonds4

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

[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-4-methyl-5-oxooxolan-2-yl]methyl methyl carbonate (PubChem CID 169299200) has the molecular formula C14H26O7Si and a molecular weight of 334.44 g/mol. Its IUPAC name is [(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-4-methyl-5-oxooxolan-2-yl]methyl methyl carbonate.

Molecular Properties

Compound Name[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-4-methyl-5-oxooxolan-2-yl]methyl methyl carbonate
PubChem CID169299200
Molecular FormulaC14H26O7Si
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-4-methyl-5-oxooxolan-2-yl]methyl methyl carbonate
SMILESCOC(=O)OC[C@H]1OC(=O)[C@@](C)(O)[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H26O7Si/c1-13(2,3)22(6,7)21-10-9(8-19-12(16)18-5)20-11(15)14(10,4)17/h9-10,17H,8H2,1-7H3/t9-,10-,14+/m1/s1
InChIKeyVPNILYPJHRNLMO-RULNRJAQSA-N
XLogP1.84
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-4-methyl-5-oxooxolan-2-yl]methyl methyl carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-4-methyl-5-oxooxolan-2-yl]methyl methyl carbonate?
The IUPAC name of [(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-4-methyl-5-oxooxolan-2-yl]methyl methyl carbonate (CID 169299200) is [(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-4-methyl-5-oxooxolan-2-yl]methyl methyl carbonate.
What is the SMILES notation for [(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-4-methyl-5-oxooxolan-2-yl]methyl methyl carbonate?
The canonical SMILES for [(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-4-methyl-5-oxooxolan-2-yl]methyl methyl carbonate is COC(=O)OC[C@H]1OC(=O)[C@@](C)(O)[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-4-methyl-5-oxooxolan-2-yl]methyl methyl carbonate?
The InChIKey is VPNILYPJHRNLMO-RULNRJAQSA-N. The full InChI is InChI=1S/C14H26O7Si/c1-13(2,3)22(6,7)21-10-9(8-19-12(16)18-5)20-11(15)14(10,4)17/h9-10,17H,8H2,1-7H3/t9-,10-,14+/m1/s1.
What are the key properties of [(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-4-methyl-5-oxooxolan-2-yl]methyl methyl carbonate?
[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-4-methyl-5-oxooxolan-2-yl]methyl methyl carbonate has a molecular weight of 334.44 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-4-methyl-5-oxooxolan-2-yl]methyl methyl carbonate is sourced from PubChem (CID 169299200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).