(6R,7S,7aS)-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,3-dimethyl-6-prop-1-en-2-yl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one

C19H35NO3Si — CID 24749448

IUPAC(6R,7S,7aS)-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,3-dimethyl-6-prop-1-en-2-yl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
SMILESC=C(C)[C@@H]1C(=O)N2[C@H](COC2(C)C)[C@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H35NO3Si/c1-13(2)16-14(10-11-23-24(8,9)18(3,4)5)15-12-22-19(6,7)20(15)17(16)21/h14-16H,1,10-12H2,2-9H3/t14-,15-,16+/m1/s1
InChIKeyRBQFFMLNYVITFB-OAGGEKHMSA-N
MW353.58 g/mol
LogP4.18
Rot. Bonds5

About (6R,7S,7aS)-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,3-dimethyl-6-prop-1-en-2-yl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one

(6R,7S,7aS)-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,3-dimethyl-6-prop-1-en-2-yl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one (PubChem CID 24749448) has the molecular formula C19H35NO3Si and a molecular weight of 353.58 g/mol. Its IUPAC name is (6R,7S,7aS)-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,3-dimethyl-6-prop-1-en-2-yl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one.

Molecular Properties

Compound Name(6R,7S,7aS)-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,3-dimethyl-6-prop-1-en-2-yl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
PubChem CID24749448
Molecular FormulaC19H35NO3Si
Molecular Weight353.58 g/mol
Exact Mass353.24
IUPAC Name(6R,7S,7aS)-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,3-dimethyl-6-prop-1-en-2-yl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
SMILESC=C(C)[C@@H]1C(=O)N2[C@H](COC2(C)C)[C@H]1CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H35NO3Si/c1-13(2)16-14(10-11-23-24(8,9)18(3,4)5)15-12-22-19(6,7)20(15)17(16)21/h14-16H,1,10-12H2,2-9H3/t14-,15-,16+/m1/s1
InChIKeyRBQFFMLNYVITFB-OAGGEKHMSA-N
XLogP4.18
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.58
LogP ≤ 54.18
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'}

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Related Compounds

(6R,7R,7aS)-6-acetyl-6-(benzenesulfonyl)-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,3-dimethyl-7,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
CID 24749446
cis-(3S,5R)-3,5-bis[[tert-butyl(dimethyl)silyl]oxy]-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexan-1-one
CID 91867075
4-benzyl-5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethylmorpholin-3-one
CID 123921176
4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-5-one
CID 10828234
tert-butyl-[[(4S,5R)-2,2-dimethyl-5-prop-1-en-2-yl-1,3-dioxan-4-yl]methoxy]-dimethylsilane
CID 10542271
[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclohexyl]methanol
CID 140982899
tert-butyl-dimethyl-[2-[2-methyl-4,5-bis(prop-1-en-2-yl)cyclohexen-1-yl]ethoxy]silane
CID 57332924
(4S)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]oxathiazolidine-3-carboxylic acid
CID 175321794
(3R,4R)-3-amino-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]azetidin-2-one
CID 123629490
3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentane-1,2-dione
CID 101218952
N-[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxo-2,3-dihydropyridin-1-yl]benzamide
CID 102252798
tert-butyl-[2-[(2S,3R)-3-ethylaziridin-2-yl]ethoxy]-dimethylsilane
CID 99771220

Frequently Asked Questions

What is the IUPAC name of (6R,7S,7aS)-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,3-dimethyl-6-prop-1-en-2-yl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
The IUPAC name of (6R,7S,7aS)-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,3-dimethyl-6-prop-1-en-2-yl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one (CID 24749448) is (6R,7S,7aS)-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,3-dimethyl-6-prop-1-en-2-yl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one.
What is the SMILES notation for (6R,7S,7aS)-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,3-dimethyl-6-prop-1-en-2-yl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
The canonical SMILES for (6R,7S,7aS)-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,3-dimethyl-6-prop-1-en-2-yl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one is C=C(C)[C@@H]1C(=O)N2[C@H](COC2(C)C)[C@H]1CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (6R,7S,7aS)-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,3-dimethyl-6-prop-1-en-2-yl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
The InChIKey is RBQFFMLNYVITFB-OAGGEKHMSA-N. The full InChI is InChI=1S/C19H35NO3Si/c1-13(2)16-14(10-11-23-24(8,9)18(3,4)5)15-12-22-19(6,7)20(15)17(16)21/h14-16H,1,10-12H2,2-9H3/t14-,15-,16+/m1/s1.
What are the key properties of (6R,7S,7aS)-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,3-dimethyl-6-prop-1-en-2-yl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one?
(6R,7S,7aS)-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,3-dimethyl-6-prop-1-en-2-yl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one has a molecular weight of 353.58 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,7S,7aS)-7-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3,3-dimethyl-6-prop-1-en-2-yl-1,6,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one is sourced from PubChem (CID 24749448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).