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

C13H26O3Si — CID 53465923

IUPAC(3R,3aR,5R,6aR)-5-[tert-butyl(dimethyl)silyl]oxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H]2[C@@H](O)CO[C@@H]2C1
InChIInChI=1S/C13H26O3Si/c1-13(2,3)17(4,5)16-9-6-10-11(14)8-15-12(10)7-9/h9-12,14H,6-8H2,1-5H3/t9-,10-,11+,12-/m1/s1
InChIKeyZKIPCSVQDTVAPR-WISYIIOYSA-N
MW258.43 g/mol
LogP2.55
Rot. Bonds2

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

(3R,3aR,5R,6aR)-5-[tert-butyl(dimethyl)silyl]oxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol (PubChem CID 53465923) has the molecular formula C13H26O3Si and a molecular weight of 258.43 g/mol. Its IUPAC name is (3R,3aR,5R,6aR)-5-[tert-butyl(dimethyl)silyl]oxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol.

Molecular Properties

Compound Name(3R,3aR,5R,6aR)-5-[tert-butyl(dimethyl)silyl]oxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol
PubChem CID53465923
Molecular FormulaC13H26O3Si
Molecular Weight258.43 g/mol
Exact Mass258.17
IUPAC Name(3R,3aR,5R,6aR)-5-[tert-butyl(dimethyl)silyl]oxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H]2[C@@H](O)CO[C@@H]2C1
InChIInChI=1S/C13H26O3Si/c1-13(2,3)17(4,5)16-9-6-10-11(14)8-15-12(10)7-9/h9-12,14H,6-8H2,1-5H3/t9-,10-,11+,12-/m1/s1
InChIKeyZKIPCSVQDTVAPR-WISYIIOYSA-N
XLogP2.55
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of (3R,3aR,5R,6aR)-5-[tert-butyl(dimethyl)silyl]oxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol?
The IUPAC name of (3R,3aR,5R,6aR)-5-[tert-butyl(dimethyl)silyl]oxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol (CID 53465923) is (3R,3aR,5R,6aR)-5-[tert-butyl(dimethyl)silyl]oxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol.
What is the SMILES notation for (3R,3aR,5R,6aR)-5-[tert-butyl(dimethyl)silyl]oxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol?
The canonical SMILES for (3R,3aR,5R,6aR)-5-[tert-butyl(dimethyl)silyl]oxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol is CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@H]2[C@@H](O)CO[C@@H]2C1.
What is the InChIKey of (3R,3aR,5R,6aR)-5-[tert-butyl(dimethyl)silyl]oxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol?
The InChIKey is ZKIPCSVQDTVAPR-WISYIIOYSA-N. The full InChI is InChI=1S/C13H26O3Si/c1-13(2,3)17(4,5)16-9-6-10-11(14)8-15-12(10)7-9/h9-12,14H,6-8H2,1-5H3/t9-,10-,11+,12-/m1/s1.
What are the key properties of (3R,3aR,5R,6aR)-5-[tert-butyl(dimethyl)silyl]oxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol?
(3R,3aR,5R,6aR)-5-[tert-butyl(dimethyl)silyl]oxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol has a molecular weight of 258.43 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aR,5R,6aR)-5-[tert-butyl(dimethyl)silyl]oxy-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-ol is sourced from PubChem (CID 53465923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).