(3S,9S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,5,8-trione

C16H26N2O4Si — CID 10337229

IUPAC(3S,9S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,5,8-trione
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@H]2C(=O)N3CC(=O)C[C@H]3C(=O)N2C1
InChIInChI=1S/C16H26N2O4Si/c1-16(2,3)23(4,5)22-11-7-13-15(21)17-8-10(19)6-12(17)14(20)18(13)9-11/h11-13H,6-9H2,1-5H3/t11-,12-,13-/m0/s1
InChIKeyQYEVSLSTYKRIJO-AVGNSLFASA-N
MW338.48 g/mol
LogP1.16
Rot. Bonds2

About (3S,9S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,5,8-trione

(3S,9S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,5,8-trione (PubChem CID 10337229) has the molecular formula C16H26N2O4Si and a molecular weight of 338.48 g/mol. Its IUPAC name is (3S,9S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,5,8-trione.

Molecular Properties

Compound Name(3S,9S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,5,8-trione
PubChem CID10337229
Molecular FormulaC16H26N2O4Si
Molecular Weight338.48 g/mol
Exact Mass338.17
IUPAC Name(3S,9S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,5,8-trione
SMILESCC(C)(C)[Si](C)(C)O[C@H]1C[C@H]2C(=O)N3CC(=O)C[C@H]3C(=O)N2C1
InChIInChI=1S/C16H26N2O4Si/c1-16(2,3)23(4,5)22-11-7-13-15(21)17-8-10(19)6-12(17)14(20)18(13)9-11/h11-13H,6-9H2,1-5H3/t11-,12-,13-/m0/s1
InChIKeyQYEVSLSTYKRIJO-AVGNSLFASA-N
XLogP1.16
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,9S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,5,8-trione?
The IUPAC name of (3S,9S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,5,8-trione (CID 10337229) is (3S,9S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,5,8-trione.
What is the SMILES notation for (3S,9S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,5,8-trione?
The canonical SMILES for (3S,9S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,5,8-trione is CC(C)(C)[Si](C)(C)O[C@H]1C[C@H]2C(=O)N3CC(=O)C[C@H]3C(=O)N2C1.
What is the InChIKey of (3S,9S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,5,8-trione?
The InChIKey is QYEVSLSTYKRIJO-AVGNSLFASA-N. The full InChI is InChI=1S/C16H26N2O4Si/c1-16(2,3)23(4,5)22-11-7-13-15(21)17-8-10(19)6-12(17)14(20)18(13)9-11/h11-13H,6-9H2,1-5H3/t11-,12-,13-/m0/s1.
What are the key properties of (3S,9S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,5,8-trione?
(3S,9S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,5,8-trione has a molecular weight of 338.48 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,9S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-1,7-diazatricyclo[7.3.0.03,7]dodecane-2,5,8-trione is sourced from PubChem (CID 10337229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).