(1S,6R,7S,7aS)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-hydroxy-6-methyl-1-propan-2-yl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one

C17H33NO4Si — CID 11035303

IUPAC(1S,6R,7S,7aS)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-hydroxy-6-methyl-1-propan-2-yl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
SMILESCC(C)[C@@H]1OCN2C(=O)[C@H](C)[C@H](O)[C@@]12CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H33NO4Si/c1-11(2)14-17(9-22-23(7,8)16(4,5)6)13(19)12(3)15(20)18(17)10-21-14/h11-14,19H,9-10H2,1-8H3/t12-,13+,14+,17+/m1/s1
InChIKeySNCGIBQNVLXTJR-FHIRATQRSA-N
MW343.54 g/mol
LogP2.60
Rot. Bonds4

About (1S,6R,7S,7aS)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-hydroxy-6-methyl-1-propan-2-yl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one

(1S,6R,7S,7aS)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-hydroxy-6-methyl-1-propan-2-yl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one (PubChem CID 11035303) has the molecular formula C17H33NO4Si and a molecular weight of 343.54 g/mol. Its IUPAC name is (1S,6R,7S,7aS)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-hydroxy-6-methyl-1-propan-2-yl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one.

Molecular Properties

Compound Name(1S,6R,7S,7aS)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-hydroxy-6-methyl-1-propan-2-yl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
PubChem CID11035303
Molecular FormulaC17H33NO4Si
Molecular Weight343.54 g/mol
Exact Mass343.22
IUPAC Name(1S,6R,7S,7aS)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-hydroxy-6-methyl-1-propan-2-yl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
SMILESCC(C)[C@@H]1OCN2C(=O)[C@H](C)[C@H](O)[C@@]12CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H33NO4Si/c1-11(2)14-17(9-22-23(7,8)16(4,5)6)13(19)12(3)15(20)18(17)10-21-14/h11-14,19H,9-10H2,1-8H3/t12-,13+,14+,17+/m1/s1
InChIKeySNCGIBQNVLXTJR-FHIRATQRSA-N
XLogP2.60
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.54
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1S,6R,7S,7aS)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-hydroxy-6-methyl-1-propan-2-yl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1S,6R,7S,7aS)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-hydroxy-6-methyl-1-propan-2-yl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
The IUPAC name of (1S,6R,7S,7aS)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-hydroxy-6-methyl-1-propan-2-yl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one (CID 11035303) is (1S,6R,7S,7aS)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-hydroxy-6-methyl-1-propan-2-yl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one.
What is the SMILES notation for (1S,6R,7S,7aS)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-hydroxy-6-methyl-1-propan-2-yl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
The canonical SMILES for (1S,6R,7S,7aS)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-hydroxy-6-methyl-1-propan-2-yl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one is CC(C)[C@@H]1OCN2C(=O)[C@H](C)[C@H](O)[C@@]12CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (1S,6R,7S,7aS)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-hydroxy-6-methyl-1-propan-2-yl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
The InChIKey is SNCGIBQNVLXTJR-FHIRATQRSA-N. The full InChI is InChI=1S/C17H33NO4Si/c1-11(2)14-17(9-22-23(7,8)16(4,5)6)13(19)12(3)15(20)18(17)10-21-14/h11-14,19H,9-10H2,1-8H3/t12-,13+,14+,17+/m1/s1.
What are the key properties of (1S,6R,7S,7aS)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-hydroxy-6-methyl-1-propan-2-yl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
(1S,6R,7S,7aS)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-hydroxy-6-methyl-1-propan-2-yl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one has a molecular weight of 343.54 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R,7S,7aS)-7a-[[tert-butyl(dimethyl)silyl]oxymethyl]-7-hydroxy-6-methyl-1-propan-2-yl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one is sourced from PubChem (CID 11035303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).