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

C16H30O4Si — CID 53495419

IUPACmethyl (2R,3aS,6S,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-carboxylate
SMILESCOC(=O)[C@H]1C[C@@H]2CC[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H]2O1
InChIInChI=1S/C16H30O4Si/c1-16(2,3)21(5,6)19-10-12-8-7-11-9-13(15(17)18-4)20-14(11)12/h11-14H,7-10H2,1-6H3/t11-,12-,13+,14+/m0/s1
InChIKeyWXDFDJLYQVMTOA-IGQOVBAYSA-N
MW314.50 g/mol
LogP3.36
Rot. Bonds4

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

methyl (2R,3aS,6S,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-carboxylate (PubChem CID 53495419) has the molecular formula C16H30O4Si and a molecular weight of 314.50 g/mol. Its IUPAC name is methyl (2R,3aS,6S,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3aS,6S,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-carboxylate
PubChem CID53495419
Molecular FormulaC16H30O4Si
Molecular Weight314.50 g/mol
Exact Mass314.19
IUPAC Namemethyl (2R,3aS,6S,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-carboxylate
SMILESCOC(=O)[C@H]1C[C@@H]2CC[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H]2O1
InChIInChI=1S/C16H30O4Si/c1-16(2,3)21(5,6)19-10-12-8-7-11-9-13(15(17)18-4)20-14(11)12/h11-14H,7-10H2,1-6H3/t11-,12-,13+,14+/m0/s1
InChIKeyWXDFDJLYQVMTOA-IGQOVBAYSA-N
XLogP3.36
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.50
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

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Related Compounds

methyl (2R,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-undecyloxolane-2-carboxylate
CID 135029963
ethyl 2-((3aR,6R,6aS)-6-((tert-butyldimethylsilyl)oxy)hexahydrofuro[3,2-b]furan-3-yl)acetate
CID 90042502
ethyl 2-[(3aR,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]acetate
CID 173796284
[(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-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
[(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]-acetyloxymercury
CID 16686390
(3aR,4R,5R,6S,6aR)-6-[tert-butyl(dimethyl)silyl]oxy-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 46176851
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

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3aS,6S,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-carboxylate?
The IUPAC name of 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) is methyl (2R,3aS,6S,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-carboxylate.
What is the SMILES notation for methyl (2R,3aS,6S,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-carboxylate?
The canonical SMILES for methyl (2R,3aS,6S,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-carboxylate is COC(=O)[C@H]1C[C@@H]2CC[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H]2O1.
What is the InChIKey of methyl (2R,3aS,6S,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-carboxylate?
The InChIKey is WXDFDJLYQVMTOA-IGQOVBAYSA-N. The full InChI is InChI=1S/C16H30O4Si/c1-16(2,3)21(5,6)19-10-12-8-7-11-9-13(15(17)18-4)20-14(11)12/h11-14H,7-10H2,1-6H3/t11-,12-,13+,14+/m0/s1.
What are the key properties of methyl (2R,3aS,6S,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-carboxylate?
methyl (2R,3aS,6S,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-carboxylate has a molecular weight of 314.50 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3aS,6S,6aR)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-2-carboxylate is sourced from PubChem (CID 53495419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).