(3R,3aR,5S,6aS)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

C13H24O4Si — CID 10355903

IUPAC(3R,3aR,5S,6aS)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C(=O)O[C@H]2C[C@@H](O)C[C@H]21
InChIInChI=1S/C13H24O4Si/c1-13(2,3)18(4,5)17-11-9-6-8(14)7-10(9)16-12(11)15/h8-11,14H,6-7H2,1-5H3/t8-,9+,10-,11+/m0/s1
InChIKeyZVMIYXGXTKLSBZ-ZRUFSTJUSA-N
MW272.42 g/mol
LogP2.07
Rot. Bonds2

About (3R,3aR,5S,6aS)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

(3R,3aR,5S,6aS)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (PubChem CID 10355903) has the molecular formula C13H24O4Si and a molecular weight of 272.42 g/mol. Its IUPAC name is (3R,3aR,5S,6aS)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.

Molecular Properties

Compound Name(3R,3aR,5S,6aS)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
PubChem CID10355903
Molecular FormulaC13H24O4Si
Molecular Weight272.42 g/mol
Exact Mass272.14
IUPAC Name(3R,3aR,5S,6aS)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C(=O)O[C@H]2C[C@@H](O)C[C@H]21
InChIInChI=1S/C13H24O4Si/c1-13(2,3)18(4,5)17-11-9-6-8(14)7-10(9)16-12(11)15/h8-11,14H,6-7H2,1-5H3/t8-,9+,10-,11+/m0/s1
InChIKeyZVMIYXGXTKLSBZ-ZRUFSTJUSA-N
XLogP2.07
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.42
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3R,3aR,5S,6aS)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one with MolForge

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Related Compounds

(3aS,4R,6R,6aR)-4-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-6-methyl-3a,4,5,6a-tetrahydro-3H-cyclopenta[b]furan-2-one
CID 11161980
(3aR,4S,5R,6aS)-4-(Hydroxymethyl)-5-((triethylsilyl)oxy)hexahydro-2H-cyclopenta[b]furan-2-one
CID 16038579
(3aR,4S,5R,6aS)-4-(tert-Butyldimethylsilyloxy)methyl-5-hydroxy-hexahydro-2H-cyclopenta[b]furan-2-one
CID 10613232
(1S,3aS,5S,6aR)-1-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-1,3a,4,5,6,6a-hexahydrocyclopenta[c]furan-3-one
CID 139039456
(3aR,5S,6S,6aR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-fluoro-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 23234396
4-[[Tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 12770859
(3aR,4S,5S,6aR)-4-(2,3-dihydroxypropoxy)-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 18632102
2-[(1S,2S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-hydroxycyclopentyl]acetic acid
CID 22796803
(3aR,4R,5R,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 57024541
(5,6-Dihydroxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-3-yl) 2,2-dimethylbutanoate
CID 59254166
(3aR,4S,5R,6aS)-5-hydroxy-4-[tri(propan-2-yl)silyloxymethyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 66691246
6-Hydroxy-5-methoxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 67409100

Frequently Asked Questions

What is the IUPAC name of (3R,3aR,5S,6aS)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The IUPAC name of (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) is (3R,3aR,5S,6aS)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.
What is the SMILES notation for (3R,3aR,5S,6aS)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The canonical SMILES for (3R,3aR,5S,6aS)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is CC(C)(C)[Si](C)(C)O[C@H]1C(=O)O[C@H]2C[C@@H](O)C[C@H]21.
What is the InChIKey of (3R,3aR,5S,6aS)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The InChIKey is ZVMIYXGXTKLSBZ-ZRUFSTJUSA-N. The full InChI is InChI=1S/C13H24O4Si/c1-13(2,3)18(4,5)17-11-9-6-8(14)7-10(9)16-12(11)15/h8-11,14H,6-7H2,1-5H3/t8-,9+,10-,11+/m0/s1.
What are the key properties of (3R,3aR,5S,6aS)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
(3R,3aR,5S,6aS)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one has a molecular weight of 272.42 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,3aR,5S,6aS)-3-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is sourced from PubChem (CID 10355903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).