(3aR,4R,6aS)-4-(3-trimethylsilyloxiran-2-yl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

C12H20O3Si — CID 11241929

IUPAC(3aR,4R,6aS)-4-(3-trimethylsilyloxiran-2-yl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESC[Si](C)(C)C1OC1[C@@H]1CC[C@@H]2OC(=O)C[C@@H]21
InChIInChI=1S/C12H20O3Si/c1-16(2,3)12-11(15-12)7-4-5-9-8(7)6-10(13)14-9/h7-9,11-12H,4-6H2,1-3H3/t7-,8-,9+,11?,12?/m1/s1
InChIKeyMESLHMCGTUHSFZ-HAPPLVQASA-N
MW240.37 g/mol
LogP1.97
Rot. Bonds2

About (3aR,4R,6aS)-4-(3-trimethylsilyloxiran-2-yl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one

(3aR,4R,6aS)-4-(3-trimethylsilyloxiran-2-yl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (PubChem CID 11241929) has the molecular formula C12H20O3Si and a molecular weight of 240.37 g/mol. Its IUPAC name is (3aR,4R,6aS)-4-(3-trimethylsilyloxiran-2-yl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.

Molecular Properties

Compound Name(3aR,4R,6aS)-4-(3-trimethylsilyloxiran-2-yl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
PubChem CID11241929
Molecular FormulaC12H20O3Si
Molecular Weight240.37 g/mol
Exact Mass240.12
IUPAC Name(3aR,4R,6aS)-4-(3-trimethylsilyloxiran-2-yl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESC[Si](C)(C)C1OC1[C@@H]1CC[C@@H]2OC(=O)C[C@@H]21
InChIInChI=1S/C12H20O3Si/c1-16(2,3)12-11(15-12)7-4-5-9-8(7)6-10(13)14-9/h7-9,11-12H,4-6H2,1-3H3/t7-,8-,9+,11?,12?/m1/s1
InChIKeyMESLHMCGTUHSFZ-HAPPLVQASA-N
XLogP1.97
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

((3aR,4S,5R,6aS)-5-Acetoxy-2-oxohexahydro-2H-cyclopenta[b]furan-4-yl)methyl acetate
CID 363762
(3aR,4S,5R,6aS)-5-[fluoro(dimethyl)silyl]-4-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 162415963
methyl 2-[(3aR,4S,6aS)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl]acetate
CID 11030779
[(3aR,4S,5R,6aS)-4-(methoxymethyl)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-5-yl] acetate
CID 11183771
(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-5-methoxy-4-(methoxymethyl)-2H-cyclopentafuran-2-one
CID 25020818
(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
4-((Acetyloxy)methyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl acetate
CID 494700
(3AR,4S,5R,6AS)-5-((Tert-butyldimethylsilyl)oxy)-4-(((tert-butyldimethylsilyl)oxy)methyl)hexahydro-2H-cyclopenta[B]furan-2-one
CID 11795287
(3aS,4R,5S,6aR)-5-(Acetyloxy)-4-((acetyloxy)methyl)hexahydro-2H-cyclopenta(b)furan-2-one
CID 58620334

Frequently Asked Questions

What is the IUPAC name of (3aR,4R,6aS)-4-(3-trimethylsilyloxiran-2-yl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The IUPAC name of (3aR,4R,6aS)-4-(3-trimethylsilyloxiran-2-yl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (CID 11241929) is (3aR,4R,6aS)-4-(3-trimethylsilyloxiran-2-yl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.
What is the SMILES notation for (3aR,4R,6aS)-4-(3-trimethylsilyloxiran-2-yl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The canonical SMILES for (3aR,4R,6aS)-4-(3-trimethylsilyloxiran-2-yl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is C[Si](C)(C)C1OC1[C@@H]1CC[C@@H]2OC(=O)C[C@@H]21.
What is the InChIKey of (3aR,4R,6aS)-4-(3-trimethylsilyloxiran-2-yl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The InChIKey is MESLHMCGTUHSFZ-HAPPLVQASA-N. The full InChI is InChI=1S/C12H20O3Si/c1-16(2,3)12-11(15-12)7-4-5-9-8(7)6-10(13)14-9/h7-9,11-12H,4-6H2,1-3H3/t7-,8-,9+,11?,12?/m1/s1.
What are the key properties of (3aR,4R,6aS)-4-(3-trimethylsilyloxiran-2-yl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
(3aR,4R,6aS)-4-(3-trimethylsilyloxiran-2-yl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one has a molecular weight of 240.37 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,4R,6aS)-4-(3-trimethylsilyloxiran-2-yl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is sourced from PubChem (CID 11241929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).