(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

C14H25FO4Si — CID 23234396

IUPAC(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
SMILESCC(C)(C)[Si](C)(C)OCC1[C@H]2CC(=O)O[C@H]2[C@@H](F)[C@H]1O
InChIInChI=1S/C14H25FO4Si/c1-14(2,3)20(4,5)18-7-9-8-6-10(16)19-13(8)11(15)12(9)17/h8-9,11-13,17H,6-7H2,1-5H3/t8-,9?,11+,12+,13-/m1/s1
InChIKeyDZEKYLPTJLOPIO-GHQLJDSLSA-N
MW304.43 g/mol
LogP2.27
Rot. Bonds3

About (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

(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 (PubChem CID 23234396) has the molecular formula C14H25FO4Si and a molecular weight of 304.43 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID23234396
Molecular FormulaC14H25FO4Si
Molecular Weight304.43 g/mol
Exact Mass304.15
IUPAC Name(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
SMILESCC(C)(C)[Si](C)(C)OCC1[C@H]2CC(=O)O[C@H]2[C@@H](F)[C@H]1O
InChIInChI=1S/C14H25FO4Si/c1-14(2,3)20(4,5)18-7-9-8-6-10(16)19-13(8)11(15)12(9)17/h8-9,11-13,17H,6-7H2,1-5H3/t8-,9?,11+,12+,13-/m1/s1
InChIKeyDZEKYLPTJLOPIO-GHQLJDSLSA-N
XLogP2.27
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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Launch Full Analysis

Related Compounds

(3aR,4S,5R,6aS)-(-)-Hexahydro-5-hydroxy-4-(hydroxymethyl)-2H-cyclopenta[b]furan-2-one
CID 2724453
(+)-Corey lactone
CID 11084331
(3aR,4S,5R,6aS)-5-[fluoro(dimethyl)silyl]-4-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 162415963
(3aR,4S,5R,6aS)-4-(hydroxymethyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl acetate
CID 10889249
(3aR,4R,5R,6aS)-2-oxo-5-triethylsilyloxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carbaldehyde
CID 14216164
(3aR,4S,5R,6aS)-4-(Hydroxymethyl)-5-((triethylsilyl)oxy)hexahydro-2H-cyclopenta[b]furan-2-one
CID 16038579
(3aR,4S,5R,6aS)-Hexahydro-4-(hydroxymethyl)-5-methoxy-2H-cyclopentafuran-2-one
CID 25020819
(3aR,4S,5R,6aS)-4-(tert-Butyldimethylsilyloxy)methyl-5-hydroxy-hexahydro-2H-cyclopenta[b]furan-2-one
CID 10613232
TBS-Corey Lactone Aldehyde
CID 10989745
(1S,5R,6R,7R)-6-[4(RS)-fluoro-3-oxo-1-octyl]-7-hydroxy-2-oxabicyclo[3.3.0]octane-3-one
CID 14855204
(3aR,4R,5R,6aS)-4-[4-[tert-butyl(dimethyl)silyl]oxy-5,5-difluorooctyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 18652542
(3aR,4R,5R,6aS)-4-[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-difluorooctyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 18652543

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CC(C)(C)[Si](C)(C)OCC1[C@H]2CC(=O)O[C@H]2[C@@H](F)[C@H]1O.
What is the InChIKey of (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?
The InChIKey is DZEKYLPTJLOPIO-GHQLJDSLSA-N. The full InChI is InChI=1S/C14H25FO4Si/c1-14(2,3)20(4,5)18-7-9-8-6-10(16)19-13(8)11(15)12(9)17/h8-9,11-13,17H,6-7H2,1-5H3/t8-,9?,11+,12+,13-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 304.43 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 23234396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).