(3aS,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-6a-(hydroxymethyl)-3a-methyl-3,4,5,6-tetrahydrocyclopenta[b]furan-2-one

C15H28O4Si — CID 25179746

IUPAC(3aS,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-6a-(hydroxymethyl)-3a-methyl-3,4,5,6-tetrahydrocyclopenta[b]furan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@@]2(C)CC(=O)O[C@@]2(CO)C1
InChIInChI=1S/C15H28O4Si/c1-13(2,3)20(5,6)19-11-7-14(4)9-12(17)18-15(14,8-11)10-16/h11,16H,7-10H2,1-6H3/t11-,14+,15-/m1/s1
InChIKeyZLDJNTVTQPHLKW-BYCMXARLSA-N
MW300.47 g/mol
LogP2.85
Rot. Bonds3

About (3aS,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-6a-(hydroxymethyl)-3a-methyl-3,4,5,6-tetrahydrocyclopenta[b]furan-2-one

(3aS,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-6a-(hydroxymethyl)-3a-methyl-3,4,5,6-tetrahydrocyclopenta[b]furan-2-one (PubChem CID 25179746) has the molecular formula C15H28O4Si and a molecular weight of 300.47 g/mol. Its IUPAC name is (3aS,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-6a-(hydroxymethyl)-3a-methyl-3,4,5,6-tetrahydrocyclopenta[b]furan-2-one.

Molecular Properties

Compound Name(3aS,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-6a-(hydroxymethyl)-3a-methyl-3,4,5,6-tetrahydrocyclopenta[b]furan-2-one
PubChem CID25179746
Molecular FormulaC15H28O4Si
Molecular Weight300.47 g/mol
Exact Mass300.18
IUPAC Name(3aS,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-6a-(hydroxymethyl)-3a-methyl-3,4,5,6-tetrahydrocyclopenta[b]furan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@@]2(C)CC(=O)O[C@@]2(CO)C1
InChIInChI=1S/C15H28O4Si/c1-13(2,3)20(5,6)19-11-7-14(4)9-12(17)18-15(14,8-11)10-16/h11,16H,7-10H2,1-6H3/t11-,14+,15-/m1/s1
InChIKeyZLDJNTVTQPHLKW-BYCMXARLSA-N
XLogP2.85
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.47
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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
(3aS,5S,6aR)-5-hydroxy-3a,4,4-trimethyl-3,5,6,6a-tetrahydrocyclopenta[b]furan-2-one
CID 122400506
(3aR,4S,5R,6aS)-4-(tert-Butyldimethylsilyloxy)methyl-5-hydroxy-hexahydro-2H-cyclopenta[b]furan-2-one
CID 10613232
(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
[4-Fluoro-1-(5-hydroxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl)octan-3-yl]oxy-dimethylsilanylium
CID 20672766
(3aR,4R,5R,6aS)-4-[(4S)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-difluorooctyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 67703180
(3aR,4R,5R,6aS)-4-[(1R)-4-tert-butyl-1-dimethylsilyloxy-5,5-difluorooctyl]-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 123266005
[4,4-difluoro-1-[(4R)-5-hydroxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl]octan-3-yl]oxy-dimethylsilanylium
CID 145817525
(3aR,4R,5R,6aS)-4-(4-tert-butyl-1-dimethylsilyloxy-5,5-difluorooctyl)-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 173324928
(3aR,4R,5R,6aS)-4-(4-tert-butyl-8-dimethylsilyloxy-5,5-difluorooctyl)-5-hydroxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 173324929

Frequently Asked Questions

What is the IUPAC name of (3aS,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-6a-(hydroxymethyl)-3a-methyl-3,4,5,6-tetrahydrocyclopenta[b]furan-2-one?
The IUPAC name of (3aS,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-6a-(hydroxymethyl)-3a-methyl-3,4,5,6-tetrahydrocyclopenta[b]furan-2-one (CID 25179746) is (3aS,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-6a-(hydroxymethyl)-3a-methyl-3,4,5,6-tetrahydrocyclopenta[b]furan-2-one.
What is the SMILES notation for (3aS,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-6a-(hydroxymethyl)-3a-methyl-3,4,5,6-tetrahydrocyclopenta[b]furan-2-one?
The canonical SMILES for (3aS,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-6a-(hydroxymethyl)-3a-methyl-3,4,5,6-tetrahydrocyclopenta[b]furan-2-one is CC(C)(C)[Si](C)(C)O[C@@H]1C[C@@]2(C)CC(=O)O[C@@]2(CO)C1.
What is the InChIKey of (3aS,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-6a-(hydroxymethyl)-3a-methyl-3,4,5,6-tetrahydrocyclopenta[b]furan-2-one?
The InChIKey is ZLDJNTVTQPHLKW-BYCMXARLSA-N. The full InChI is InChI=1S/C15H28O4Si/c1-13(2,3)20(5,6)19-11-7-14(4)9-12(17)18-15(14,8-11)10-16/h11,16H,7-10H2,1-6H3/t11-,14+,15-/m1/s1.
What are the key properties of (3aS,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-6a-(hydroxymethyl)-3a-methyl-3,4,5,6-tetrahydrocyclopenta[b]furan-2-one?
(3aS,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-6a-(hydroxymethyl)-3a-methyl-3,4,5,6-tetrahydrocyclopenta[b]furan-2-one has a molecular weight of 300.47 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-6a-(hydroxymethyl)-3a-methyl-3,4,5,6-tetrahydrocyclopenta[b]furan-2-one is sourced from PubChem (CID 25179746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).