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

C15H26O3Si — CID 11558252

IUPAC(3aS,4R,5S,6aR)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESC=C[C@@H]1[C@@H]2CC(=O)O[C@@H]2C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H26O3Si/c1-7-10-11-8-14(16)17-12(11)9-13(10)18-19(5,6)15(2,3)4/h7,10-13H,1,8-9H2,2-6H3/t10-,11+,12-,13+/m1/s1
InChIKeyFYGJMHPHXZLLJS-XQHKEYJVSA-N
MW282.46 g/mol
LogP3.51
Rot. Bonds3

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

(3aS,4R,5S,6aR)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (PubChem CID 11558252) has the molecular formula C15H26O3Si and a molecular weight of 282.46 g/mol. Its IUPAC name is (3aS,4R,5S,6aR)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.

Molecular Properties

Compound Name(3aS,4R,5S,6aR)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
PubChem CID11558252
Molecular FormulaC15H26O3Si
Molecular Weight282.46 g/mol
Exact Mass282.17
IUPAC Name(3aS,4R,5S,6aR)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESC=C[C@@H]1[C@@H]2CC(=O)O[C@@H]2C[C@@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H26O3Si/c1-7-10-11-8-14(16)17-12(11)9-13(10)18-19(5,6)15(2,3)4/h7,10-13H,1,8-9H2,2-6H3/t10-,11+,12-,13+/m1/s1
InChIKeyFYGJMHPHXZLLJS-XQHKEYJVSA-N
XLogP3.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

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Related Compounds

(1S,5R,6R,7R)-6-[(E)-3(RS)-t-butyldimethylsilyloxy-1-octenyl]-7-hydroxy-2-oxabicyclo[3.3.0]octan-3-one
CID 15224603
(3S,3aR,4R,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-[3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-1-enyl]-3-fluoro-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 57321819
(3aR,4R,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-1-enyl]-3-fluoro-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 69963051
(3aR,4R,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-1-enyl]-3-fluoro-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 69963561
(3aR,4R,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-methylnon-1-enyl]-3,3-difluoro-4,5,6,6a-tetrahydro-3aH-cyclopenta[b]furan-2-one
CID 69964172
(3S,3aR,4R,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethyloct-1-enyl]-3-fluoro-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 70436025
(3aR,4R,6aS)-4-[(E)-2-trimethylsilylethenyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 11299072
(3aS,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-6a-methyl-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-2-one
CID 25213394
(3aR,4S,6aS)-6,6-dimethyl-4-[(1S,2R)-2-methyl-1-triethylsilyloxybut-3-enyl]-3-prop-2-enyl-3a,4,5,6a-tetrahydro-3H-cyclopenta[b]furan-2-one
CID 135068734
(4S,7S,8S,9R,10Z,13R)-5,5,9-trimethyl-8-triethylsilyloxy-3-oxatricyclo[5.5.1.04,13]tridec-10-en-2-one
CID 135068735
(3S,3aR,4S,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-5-methyl-3-methylsulfanyl-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one
CID 164674482
CID 178270082
CID 178270082

Frequently Asked Questions

What is the IUPAC name of (3aS,4R,5S,6aR)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The IUPAC name of (3aS,4R,5S,6aR)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (CID 11558252) is (3aS,4R,5S,6aR)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.
What is the SMILES notation for (3aS,4R,5S,6aR)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The canonical SMILES for (3aS,4R,5S,6aR)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is C=C[C@@H]1[C@@H]2CC(=O)O[C@@H]2C[C@@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3aS,4R,5S,6aR)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The InChIKey is FYGJMHPHXZLLJS-XQHKEYJVSA-N. The full InChI is InChI=1S/C15H26O3Si/c1-7-10-11-8-14(16)17-12(11)9-13(10)18-19(5,6)15(2,3)4/h7,10-13H,1,8-9H2,2-6H3/t10-,11+,12-,13+/m1/s1.
What are the key properties of (3aS,4R,5S,6aR)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
(3aS,4R,5S,6aR)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one has a molecular weight of 282.46 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4R,5S,6aR)-5-[tert-butyl(dimethyl)silyl]oxy-4-ethenyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is sourced from PubChem (CID 11558252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).