(3aR,5R,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol

C14H28O4Si — CID 134958798

IUPAC(3aR,5R,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)C[C@H]2C(O)OC[C@@H]12
InChIInChI=1S/C14H28O4Si/c1-14(2,3)19(4,5)18-12-9(7-15)6-10-11(12)8-17-13(10)16/h9-13,15-16H,6-8H2,1-5H3/t9-,10-,11-,12-,13?/m1/s1
InChIKeyJZWWNJLJEPTNEJ-JVASRFHESA-N
MW288.46 g/mol
LogP1.97
Rot. Bonds3

About (3aR,5R,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol

(3aR,5R,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol (PubChem CID 134958798) has the molecular formula C14H28O4Si and a molecular weight of 288.46 g/mol. Its IUPAC name is (3aR,5R,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol.

Molecular Properties

Compound Name(3aR,5R,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol
PubChem CID134958798
Molecular FormulaC14H28O4Si
Molecular Weight288.46 g/mol
Exact Mass288.18
IUPAC Name(3aR,5R,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)C[C@H]2C(O)OC[C@@H]12
InChIInChI=1S/C14H28O4Si/c1-14(2,3)19(4,5)18-12-9(7-15)6-10-11(12)8-17-13(10)16/h9-13,15-16H,6-8H2,1-5H3/t9-,10-,11-,12-,13?/m1/s1
InChIKeyJZWWNJLJEPTNEJ-JVASRFHESA-N
XLogP1.97
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.46
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3aR,5R,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3aR,5R,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol?
The IUPAC name of (3aR,5R,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol (CID 134958798) is (3aR,5R,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol.
What is the SMILES notation for (3aR,5R,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol?
The canonical SMILES for (3aR,5R,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol is CC(C)(C)[Si](C)(C)O[C@@H]1[C@@H](CO)C[C@H]2C(O)OC[C@@H]12.
What is the InChIKey of (3aR,5R,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol?
The InChIKey is JZWWNJLJEPTNEJ-JVASRFHESA-N. The full InChI is InChI=1S/C14H28O4Si/c1-14(2,3)19(4,5)18-12-9(7-15)6-10-11(12)8-17-13(10)16/h9-13,15-16H,6-8H2,1-5H3/t9-,10-,11-,12-,13?/m1/s1.
What are the key properties of (3aR,5R,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol?
(3aR,5R,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol has a molecular weight of 288.46 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,5R,6R,6aS)-6-[tert-butyl(dimethyl)silyl]oxy-5-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan-3-ol is sourced from PubChem (CID 134958798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).