4-[(3aR,5R,6S,6aS)-6-[tert-butyl(diphenyl)silyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]piperidine-2,6-dione

C28H35NO5Si — CID 134918188

IUPAC4-[(3aR,5R,6S,6aS)-6-[tert-butyl(diphenyl)silyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]piperidine-2,6-dione
SMILESCC1(C)O[C@H]2O[C@H](C3CC(=O)NC(=O)C3)[C@H]([Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H]2O1
InChIInChI=1S/C28H35NO5Si/c1-27(2,3)35(19-12-8-6-9-13-19,20-14-10-7-11-15-20)25-23(18-16-21(30)29-22(31)17-18)32-26-24(25)33-28(4,5)34-26/h6-15,18,23-26H,16-17H2,1-5H3,(H,29,30,31)/t23-,24-,25+,26-/m1/s1
InChIKeyQDMCUBLAJCPXDX-FXSWLTOZSA-N
MW493.68 g/mol
LogP3.35
Rot. Bonds4

About 4-[(3aR,5R,6S,6aS)-6-[tert-butyl(diphenyl)silyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]piperidine-2,6-dione

4-[(3aR,5R,6S,6aS)-6-[tert-butyl(diphenyl)silyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]piperidine-2,6-dione (PubChem CID 134918188) has the molecular formula C28H35NO5Si and a molecular weight of 493.68 g/mol. Its IUPAC name is 4-[(3aR,5R,6S,6aS)-6-[tert-butyl(diphenyl)silyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name4-[(3aR,5R,6S,6aS)-6-[tert-butyl(diphenyl)silyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]piperidine-2,6-dione
PubChem CID134918188
Molecular FormulaC28H35NO5Si
Molecular Weight493.68 g/mol
Exact Mass493.23
IUPAC Name4-[(3aR,5R,6S,6aS)-6-[tert-butyl(diphenyl)silyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]piperidine-2,6-dione
SMILESCC1(C)O[C@H]2O[C@H](C3CC(=O)NC(=O)C3)[C@H]([Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H]2O1
InChIInChI=1S/C28H35NO5Si/c1-27(2,3)35(19-12-8-6-9-13-19,20-14-10-7-11-15-20)25-23(18-16-21(30)29-22(31)17-18)32-26-24(25)33-28(4,5)34-26/h6-15,18,23-26H,16-17H2,1-5H3,(H,29,30,31)/t23-,24-,25+,26-/m1/s1
InChIKeyQDMCUBLAJCPXDX-FXSWLTOZSA-N
XLogP3.35
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.68
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3aR,5S,6R,6aR)-6-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-5-carbaldehyde
CID 11224080
(3aR,5S,6R,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-6-carbaldehyde
CID 140772714
(3aS,5S,6R,6aS)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 10960947
[(3aR,5S,6R,6aR)-6-(1,3-dithian-2-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]methoxy-tert-butyl-diphenylsilane
CID 11409997
6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-4-one
CID 15674842
[(5R,6S,6aS)-6-iodo-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-[tert-butyl(diphenyl)silyl]methanol
CID 175402820
[(3aR,5S,6S,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,6-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methanol
CID 59638497
(3aR,5R,6aS)-6-[tert-butyl(diphenyl)silyl]oxy-2',2'-dichloro-2,2-dimethylspiro[6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5,3'-cyclobutane]-1'-one
CID 167678407
[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]methyl acetate
CID 123880109
(3aR,5S,6S,6aR)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2,6-trimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carbaldehyde
CID 59751308
1-[(3aR,5S,6R,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-2-[tert-butyl(diphenyl)silyl]oxyethanone
CID 10886103
(3aR,5R,6S,6aR)-5-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-hydroxyethyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 102214663

Frequently Asked Questions

What is the IUPAC name of 4-[(3aR,5R,6S,6aS)-6-[tert-butyl(diphenyl)silyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]piperidine-2,6-dione?
The IUPAC name of 4-[(3aR,5R,6S,6aS)-6-[tert-butyl(diphenyl)silyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]piperidine-2,6-dione (CID 134918188) is 4-[(3aR,5R,6S,6aS)-6-[tert-butyl(diphenyl)silyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]piperidine-2,6-dione.
What is the SMILES notation for 4-[(3aR,5R,6S,6aS)-6-[tert-butyl(diphenyl)silyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]piperidine-2,6-dione?
The canonical SMILES for 4-[(3aR,5R,6S,6aS)-6-[tert-butyl(diphenyl)silyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]piperidine-2,6-dione is CC1(C)O[C@H]2O[C@H](C3CC(=O)NC(=O)C3)[C@H]([Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H]2O1.
What is the InChIKey of 4-[(3aR,5R,6S,6aS)-6-[tert-butyl(diphenyl)silyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]piperidine-2,6-dione?
The InChIKey is QDMCUBLAJCPXDX-FXSWLTOZSA-N. The full InChI is InChI=1S/C28H35NO5Si/c1-27(2,3)35(19-12-8-6-9-13-19,20-14-10-7-11-15-20)25-23(18-16-21(30)29-22(31)17-18)32-26-24(25)33-28(4,5)34-26/h6-15,18,23-26H,16-17H2,1-5H3,(H,29,30,31)/t23-,24-,25+,26-/m1/s1.
What are the key properties of 4-[(3aR,5R,6S,6aS)-6-[tert-butyl(diphenyl)silyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]piperidine-2,6-dione?
4-[(3aR,5R,6S,6aS)-6-[tert-butyl(diphenyl)silyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]piperidine-2,6-dione has a molecular weight of 493.68 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3aR,5R,6S,6aS)-6-[tert-butyl(diphenyl)silyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]piperidine-2,6-dione is sourced from PubChem (CID 134918188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).