[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (1R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]octa-2,6-diene-2-carboxylate

About [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (1R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]octa-2,6-diene-2-carboxylate

[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (1R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]octa-2,6-diene-2-carboxylate (PubChem CID 46919257) has the molecular formula C24H38O6Si and a molecular weight of 450.65 g/mol. Its IUPAC name is [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (1R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]octa-2,6-diene-2-carboxylate.

Molecular Properties

Compound Name	[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (1R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]octa-2,6-diene-2-carboxylate
PubChem CID	46919257
Molecular Formula	C24H38O6Si
Molecular Weight	450.65 g/mol
Exact Mass	450.24
IUPAC Name	[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (1R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]octa-2,6-diene-2-carboxylate
SMILES	CC(C)[C@@]12C=C[C@@](C)(O1)C(C(=O)O[C@H]1C(=O)OCC1(C)C)=C(O[Si](C)(C)C(C)(C)C)C2
InChI	InChI=1S/C24H38O6Si/c1-15(2)24-12-11-23(8,30-24)17(16(13-24)29-31(9,10)21(3,4)5)19(25)28-18-20(26)27-14-22(18,6)7/h11-12,15,18H,13-14H2,1-10H3/t18-,23+,24-/m0/s1
InChIKey	GRPPAUFFLIJPLI-GLYQVZKVSA-N
XLogP	4.90
TPSA	71.06 Å²
H-Bond Donors
H-Bond Acceptors	6
Rotatable Bonds	5
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.65
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (1R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]octa-2,6-diene-2-carboxylate?

The IUPAC name of [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (1R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]octa-2,6-diene-2-carboxylate (CID 46919257) is [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (1R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]octa-2,6-diene-2-carboxylate.

What is the SMILES notation for [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (1R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]octa-2,6-diene-2-carboxylate?

The canonical SMILES for [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (1R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]octa-2,6-diene-2-carboxylate is CC(C)[C@@]12C=C[C@@](C)(O1)C(C(=O)O[C@H]1C(=O)OCC1(C)C)=C(O[Si](C)(C)C(C)(C)C)C2.

What is the InChIKey of [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (1R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]octa-2,6-diene-2-carboxylate?

The InChIKey is GRPPAUFFLIJPLI-GLYQVZKVSA-N. The full InChI is InChI=1S/C24H38O6Si/c1-15(2)24-12-11-23(8,30-24)17(16(13-24)29-31(9,10)21(3,4)5)19(25)28-18-20(26)27-14-22(18,6)7/h11-12,15,18H,13-14H2,1-10H3/t18-,23+,24-/m0/s1.

What are the key properties of [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (1R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]octa-2,6-diene-2-carboxylate?

[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (1R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]octa-2,6-diene-2-carboxylate has a molecular weight of 450.65 g/mol, XLogP of 4.90, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (1R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-1-methyl-5-propan-2-yl-8-oxabicyclo[3.2.1]octa-2,6-diene-2-carboxylate is sourced from PubChem (CID 46919257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).