methyl (2R,3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-carboxylate

C15H28O4Si — CID 101471452

IUPACmethyl (2R,3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-carboxylate
SMILESCOC(=O)[C@H]1C[C@@H]2CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O1
InChIInChI=1S/C15H28O4Si/c1-15(2,3)20(5,6)19-11-8-7-10-9-12(14(16)17-4)18-13(10)11/h10-13H,7-9H2,1-6H3/t10-,11+,12+,13+/m0/s1
InChIKeyFMEUOYAJVQLIRM-UMSGYPCISA-N
MW300.47 g/mol
LogP3.12
Rot. Bonds3

About methyl (2R,3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-carboxylate

methyl (2R,3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-carboxylate (PubChem CID 101471452) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is methyl (2R,3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-carboxylate
PubChem CID101471452
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Namemethyl (2R,3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-carboxylate
SMILESCOC(=O)[C@H]1C[C@@H]2CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O1
InChIInChI=1S/C15H28O4Si/c1-15(2,3)20(5,6)19-11-8-7-10-9-12(14(16)17-4)18-13(10)11/h10-13H,7-9H2,1-6H3/t10-,11+,12+,13+/m0/s1
InChIKeyFMEUOYAJVQLIRM-UMSGYPCISA-N
XLogP3.12
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (2R,3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-carboxylate with MolForge

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Related Compounds

(5S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-1-oxaspiro[4.4]nonan-2-one
CID 10707198
methyl (2R,3aS,6S,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-carboxylate
CID 53495419
(3R,3aR,5R,6aS)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 10038918
[(3R,3aR,5S,6aR)-5-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-6-yl]mercury;acetic acid
CID 10257488
[(3R,3aR,5S,6aR)-5-acetyloxy-3-[tert-butyl(dimethyl)silyl]oxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-6-yl]mercury
CID 10257489
(3R,3aR,5S,6aS)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 10355903
[(3R,3aR,5S,6aS)-3-[tert-butyl(dimethyl)silyl]oxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] acetate
CID 10403381
[(3R,3aR,5R,6aS)-3-[tert-butyl(dimethyl)silyl]oxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] acetate
CID 10425803
(3aR,5R,6R,6aS)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 10430266
(5S,9S)-9-[tert-butyl(dimethyl)silyl]oxy-1-oxaspiro[4.4]nonan-2-one
CID 10540000
(3aS,6R,6aR)-6-trimethylsilyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 10846321
(3S,3aS,6S,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 10912596

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-carboxylate?
The IUPAC name of methyl (2R,3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-carboxylate (CID 101471452) is methyl (2R,3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-carboxylate.
What is the SMILES notation for methyl (2R,3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-carboxylate?
The canonical SMILES for methyl (2R,3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-carboxylate is COC(=O)[C@H]1C[C@@H]2CC[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2O1.
What is the InChIKey of methyl (2R,3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-carboxylate?
The InChIKey is FMEUOYAJVQLIRM-UMSGYPCISA-N. The full InChI is InChI=1S/C15H28O4Si/c1-15(2,3)20(5,6)19-11-8-7-10-9-12(14(16)17-4)18-13(10)11/h10-13H,7-9H2,1-6H3/t10-,11+,12+,13+/m0/s1.
What are the key properties of methyl (2R,3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-carboxylate?
methyl (2R,3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-carboxylate has a molecular weight of 300.47 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3aS,6R,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-carboxylate is sourced from PubChem (CID 101471452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).