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

C17H31NO4Si — CID 22815893

IUPAC(3aS,4R,5R,6aR)-5-[tert-butyl(dimethyl)silyl]oxy-4-morpholin-4-yl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@H]2OC(=O)C[C@H]2[C@H]1N1CCOCC1
InChIInChI=1S/C17H31NO4Si/c1-17(2,3)23(4,5)22-14-11-13-12(10-15(19)21-13)16(14)18-6-8-20-9-7-18/h12-14,16H,6-11H2,1-5H3/t12-,13-,14-,16-/m1/s1
InChIKeyVJDZLWGNTNDNGS-IXYNUQLISA-N
MW341.52 g/mol
LogP2.41
Rot. Bonds3

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

(3aS,4R,5R,6aR)-5-[tert-butyl(dimethyl)silyl]oxy-4-morpholin-4-yl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (PubChem CID 22815893) has the molecular formula C17H31NO4Si and a molecular weight of 341.52 g/mol. Its IUPAC name is (3aS,4R,5R,6aR)-5-[tert-butyl(dimethyl)silyl]oxy-4-morpholin-4-yl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.

Molecular Properties

Compound Name(3aS,4R,5R,6aR)-5-[tert-butyl(dimethyl)silyl]oxy-4-morpholin-4-yl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
PubChem CID22815893
Molecular FormulaC17H31NO4Si
Molecular Weight341.52 g/mol
Exact Mass341.20
IUPAC Name(3aS,4R,5R,6aR)-5-[tert-butyl(dimethyl)silyl]oxy-4-morpholin-4-yl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1C[C@H]2OC(=O)C[C@H]2[C@H]1N1CCOCC1
InChIInChI=1S/C17H31NO4Si/c1-17(2,3)23(4,5)22-14-11-13-12(10-15(19)21-13)16(14)18-6-8-20-9-7-18/h12-14,16H,6-11H2,1-5H3/t12-,13-,14-,16-/m1/s1
InChIKeyVJDZLWGNTNDNGS-IXYNUQLISA-N
XLogP2.41
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.52
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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Related Compounds

(3aR,5S,6aS)-4-morpholin-4-yl-5-(oxan-2-yloxy)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 70579357
(3aR,4S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 174065408
(3aS,4R,5R,6aR)-5-hydroxy-4-morpholin-4-yl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 22815895
(3aR,4R,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-(1-trimethylsilylethenyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 11566561
(3aS,4S,5S,6aR)-5-(oxan-2-yloxy)-4-piperidin-1-yl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 22815878
(3aR,4R,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-oct-1-enyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 68733852
6-[(4-methoxyphenyl)methoxy]-8-morpholin-4-yl-2-oxabicyclo[3.2.1]octan-3-one
CID 12786304
(3aR,5S,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(E)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 70579303
(3aR,4R,5R,6aS)-5-[tert-butyl(dimethyl)silyl]oxy-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-4,5,6,7-tetradeuteriooct-1-enyl]-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 11730807
(1S,5S,6R)-8-morpholin-4-yl-6-[(4-thiophen-2-ylphenyl)methoxy]-2-oxabicyclo[3.2.1]octan-3-one
CID 70579848
(3aR,4S,5R,6aS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-[tert-butyl(diphenyl)silyl]oxy-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 70653983
(5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-one
CID 15633274

Frequently Asked Questions

What is the IUPAC name of (3aS,4R,5R,6aR)-5-[tert-butyl(dimethyl)silyl]oxy-4-morpholin-4-yl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The IUPAC name of (3aS,4R,5R,6aR)-5-[tert-butyl(dimethyl)silyl]oxy-4-morpholin-4-yl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one (CID 22815893) is (3aS,4R,5R,6aR)-5-[tert-butyl(dimethyl)silyl]oxy-4-morpholin-4-yl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one.
What is the SMILES notation for (3aS,4R,5R,6aR)-5-[tert-butyl(dimethyl)silyl]oxy-4-morpholin-4-yl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The canonical SMILES for (3aS,4R,5R,6aR)-5-[tert-butyl(dimethyl)silyl]oxy-4-morpholin-4-yl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is CC(C)(C)[Si](C)(C)O[C@@H]1C[C@H]2OC(=O)C[C@H]2[C@H]1N1CCOCC1.
What is the InChIKey of (3aS,4R,5R,6aR)-5-[tert-butyl(dimethyl)silyl]oxy-4-morpholin-4-yl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
The InChIKey is VJDZLWGNTNDNGS-IXYNUQLISA-N. The full InChI is InChI=1S/C17H31NO4Si/c1-17(2,3)23(4,5)22-14-11-13-12(10-15(19)21-13)16(14)18-6-8-20-9-7-18/h12-14,16H,6-11H2,1-5H3/t12-,13-,14-,16-/m1/s1.
What are the key properties of (3aS,4R,5R,6aR)-5-[tert-butyl(dimethyl)silyl]oxy-4-morpholin-4-yl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one?
(3aS,4R,5R,6aR)-5-[tert-butyl(dimethyl)silyl]oxy-4-morpholin-4-yl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one has a molecular weight of 341.52 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,4R,5R,6aR)-5-[tert-butyl(dimethyl)silyl]oxy-4-morpholin-4-yl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one is sourced from PubChem (CID 22815893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).