(4aS,5R,5aS,9aR)-5-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-4a,5,5a,6,7,9a-hexahydro-1H-[1,3]dioxino[4,5-b]pyrrolizin-8-one

C17H31NO4Si — CID 72196809

IUPAC(4aS,5R,5aS,9aR)-5-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-4a,5,5a,6,7,9a-hexahydro-1H-[1,3]dioxino[4,5-b]pyrrolizin-8-one
SMILESCC1(OC[C@@H]2[C@H](O1)[C@@H]([C@H]3N2C(=O)CC3)O[Si](C)(C)C(C)(C)C)C
InChIInChI=1S/C17H31NO4Si/c1-16(2,3)23(6,7)22-15-11-8-9-13(19)18(11)12-10-20-17(4,5)21-14(12)15/h11-12,14-15H,8-10H2,1-7H3/t11-,12+,14-,15+/m0/s1
InChIKeyCYMIDIOSUZZLQK-MYZSUADSSA-N
MW341.50 g/mol
LogP—
Rot. Bonds3

About (4aS,5R,5aS,9aR)-5-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-4a,5,5a,6,7,9a-hexahydro-1H-[1,3]dioxino[4,5-b]pyrrolizin-8-one

(4aS,5R,5aS,9aR)-5-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-4a,5,5a,6,7,9a-hexahydro-1H-[1,3]dioxino[4,5-b]pyrrolizin-8-one (PubChem CID 72196809) has the molecular formula C17H31NO4Si and a molecular weight of 341.50 g/mol. Its IUPAC name is (4aS,5R,5aS,9aR)-5-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-4a,5,5a,6,7,9a-hexahydro-1H-[1,3]dioxino[4,5-b]pyrrolizin-8-one.

Molecular Properties

Compound Name(4aS,5R,5aS,9aR)-5-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-4a,5,5a,6,7,9a-hexahydro-1H-[1,3]dioxino[4,5-b]pyrrolizin-8-one
PubChem CID72196809
Molecular FormulaC17H31NO4Si
Molecular Weight341.50 g/mol
Exact Mass341.20
IUPAC Name(4aS,5R,5aS,9aR)-5-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-4a,5,5a,6,7,9a-hexahydro-1H-[1,3]dioxino[4,5-b]pyrrolizin-8-one
SMILESCC1(OC[C@@H]2[C@H](O1)[C@@H]([C@H]3N2C(=O)CC3)O[Si](C)(C)C(C)(C)C)C
InChIInChI=1S/C17H31NO4Si/c1-16(2,3)23(6,7)22-15-11-8-9-13(19)18(11)12-10-20-17(4,5)21-14(12)15/h11-12,14-15H,8-10H2,1-7H3/t11-,12+,14-,15+/m0/s1
InChIKeyCYMIDIOSUZZLQK-MYZSUADSSA-N
XLogP—
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity499

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4aS,5R,5aS,9aR)-5-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-4a,5,5a,6,7,9a-hexahydro-1H-[1,3]dioxino[4,5-b]pyrrolizin-8-one with MolForge

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Related Compounds

(4aR,5S,5aS,9aS)-5-hydroxy-3,3-dimethyl-4a,5,5a,6,7,9a-hexahydro-1H-[1,3]dioxino[4,5-b]pyrrolizin-8-one
CID 72196803
(4aS,5R,5aS,9aR)-5-hydroxy-3,3-dimethyl-4a,5,5a,6,7,9a-hexahydro-1H-[1,3]dioxino[4,5-b]pyrrolizin-8-one
CID 72196810
(3aR,9R,9aS,9bS)-2,2-dimethyl-9-tri(propan-2-yl)silyloxy-4,7,8,9,9a,9b-hexahydro-3aH-[1,3]dioxolo[4,5-a]indolizin-6-one
CID 11760773
(3aR,4S,9R,9aR,9bS)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-9-hydroxyspiro[4,7,8,9,9a,9b-hexahydro-3aH-[1,3]dioxolo[4,5-a]indolizine-2,1'-cyclohexane]-6-one
CID 12038844
(6R,7R,8R)-6-[tert-butyl(dimethyl)silyl]oxy-7-(2-methoxyethoxymethoxy)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 16744022
(5R,6R,7S,8R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-6-hydroxy-7-(methoxymethoxy)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 25105228
(3aS,4S,8aR,8bR)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,7,8,8a,8b-hexahydro-[1,3]dioxolo[4,5-a]pyrrolizin-6-one
CID 44234365
(3aR,9aS,9bR)-2,2-dimethyl-9-trimethylsilyloxy-6,7,8,9,9a,9b-hexahydro-3aH-[1,3]dioxolo[4,5-a]indolizin-4-one
CID 52916676
(3aR,9R,9bS)-2,2-dimethyl-9-tri(propan-2-yl)silyloxy-4,7,8,9,9a,9b-hexahydro-3aH-[1,3]dioxolo[4,5-a]indolizin-6-one
CID 101003385

Frequently Asked Questions

What is the IUPAC name of (4aS,5R,5aS,9aR)-5-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-4a,5,5a,6,7,9a-hexahydro-1H-[1,3]dioxino[4,5-b]pyrrolizin-8-one?
The IUPAC name of (4aS,5R,5aS,9aR)-5-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-4a,5,5a,6,7,9a-hexahydro-1H-[1,3]dioxino[4,5-b]pyrrolizin-8-one (CID 72196809) is (4aS,5R,5aS,9aR)-5-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-4a,5,5a,6,7,9a-hexahydro-1H-[1,3]dioxino[4,5-b]pyrrolizin-8-one.
What is the SMILES notation for (4aS,5R,5aS,9aR)-5-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-4a,5,5a,6,7,9a-hexahydro-1H-[1,3]dioxino[4,5-b]pyrrolizin-8-one?
The canonical SMILES for (4aS,5R,5aS,9aR)-5-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-4a,5,5a,6,7,9a-hexahydro-1H-[1,3]dioxino[4,5-b]pyrrolizin-8-one is CC1(OC[C@@H]2[C@H](O1)[C@@H]([C@H]3N2C(=O)CC3)O[Si](C)(C)C(C)(C)C)C.
What is the InChIKey of (4aS,5R,5aS,9aR)-5-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-4a,5,5a,6,7,9a-hexahydro-1H-[1,3]dioxino[4,5-b]pyrrolizin-8-one?
The InChIKey is CYMIDIOSUZZLQK-MYZSUADSSA-N. The full InChI is InChI=1S/C17H31NO4Si/c1-16(2,3)23(6,7)22-15-11-8-9-13(19)18(11)12-10-20-17(4,5)21-14(12)15/h11-12,14-15H,8-10H2,1-7H3/t11-,12+,14-,15+/m0/s1.
What are the key properties of (4aS,5R,5aS,9aR)-5-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-4a,5,5a,6,7,9a-hexahydro-1H-[1,3]dioxino[4,5-b]pyrrolizin-8-one?
(4aS,5R,5aS,9aR)-5-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-4a,5,5a,6,7,9a-hexahydro-1H-[1,3]dioxino[4,5-b]pyrrolizin-8-one has a molecular weight of 341.50 g/mol, XLogP of not available, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,5R,5aS,9aR)-5-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethyl-4a,5,5a,6,7,9a-hexahydro-1H-[1,3]dioxino[4,5-b]pyrrolizin-8-one is sourced from PubChem (CID 72196809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).