(1S,8S,9R,13R)-1-methoxy-11-methyl-8-trimethylsilyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione

C17H21NO4Si — CID 135051392

IUPAC(1S,8S,9R,13R)-1-methoxy-11-methyl-8-trimethylsilyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione
SMILESCO[C@@]12O[C@@]([Si](C)(C)C)(c3ccccc31)[C@H]1C(=O)N(C)C(=O)[C@H]12
InChIInChI=1S/C17H21NO4Si/c1-18-14(19)12-13(15(18)20)17(23(3,4)5)11-9-7-6-8-10(11)16(12,21-2)22-17/h6-9,12-13H,1-5H3/t12-,13+,16+,17+/m0/s1
InChIKeyBLIDVKFEYQJXSJ-NSNWQYSKSA-N
MW331.44 g/mol
LogP1.83
Rot. Bonds2

About (1S,8S,9R,13R)-1-methoxy-11-methyl-8-trimethylsilyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione

(1S,8S,9R,13R)-1-methoxy-11-methyl-8-trimethylsilyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione (PubChem CID 135051392) has the molecular formula C17H21NO4Si and a molecular weight of 331.44 g/mol. Its IUPAC name is (1S,8S,9R,13R)-1-methoxy-11-methyl-8-trimethylsilyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione.

Molecular Properties

Compound Name(1S,8S,9R,13R)-1-methoxy-11-methyl-8-trimethylsilyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione
PubChem CID135051392
Molecular FormulaC17H21NO4Si
Molecular Weight331.44 g/mol
Exact Mass331.12
IUPAC Name(1S,8S,9R,13R)-1-methoxy-11-methyl-8-trimethylsilyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione
SMILESCO[C@@]12O[C@@]([Si](C)(C)C)(c3ccccc31)[C@H]1C(=O)N(C)C(=O)[C@H]12
InChIInChI=1S/C17H21NO4Si/c1-18-14(19)12-13(15(18)20)17(23(3,4)5)11-9-7-6-8-10(11)16(12,21-2)22-17/h6-9,12-13H,1-5H3/t12-,13+,16+,17+/m0/s1
InChIKeyBLIDVKFEYQJXSJ-NSNWQYSKSA-N
XLogP1.83
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(1R,8R,9S,13R)-11-methyl-10,12-dioxo-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-trien-1-yl] acetate
CID 134907327
(1R,8S,9R,13S)-1,11-dimethyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione
CID 13802388
(1R,8S,9R,13S)-11-methyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione
CID 13802392
(1S,8R,9S,13R)-1,8-bis[tert-butyl(dimethyl)silyl]-11-methyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione
CID 44219930
1-Dimethoxyphosphoryl-11-methyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione
CID 102153886
(1S,8R,9S,13R)-1-methoxy-11-methyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione
CID 134907214
(1S,8R,9S,13S)-11-methyl-1-phenyl-8-trimethylsilyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione
CID 138971809
(1S,8S,9R,13S)-11-methyl-1-phenyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione
CID 138972011
(1S,8S,9R,13S)-11-methyl-1-(2-methylphenyl)-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione
CID 138972574
(1R,8S)-11-methyl-1,8-diphenyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione
CID 138973650
11-Methyl-1-(trifluoromethyl)-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione
CID 102098423
(1S,8R,9S,13R)-11-methyl-1-pent-4-enyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione
CID 360077

Frequently Asked Questions

What is the IUPAC name of (1S,8S,9R,13R)-1-methoxy-11-methyl-8-trimethylsilyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione?
The IUPAC name of (1S,8S,9R,13R)-1-methoxy-11-methyl-8-trimethylsilyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione (CID 135051392) is (1S,8S,9R,13R)-1-methoxy-11-methyl-8-trimethylsilyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione.
What is the SMILES notation for (1S,8S,9R,13R)-1-methoxy-11-methyl-8-trimethylsilyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione?
The canonical SMILES for (1S,8S,9R,13R)-1-methoxy-11-methyl-8-trimethylsilyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione is CO[C@@]12O[C@@]([Si](C)(C)C)(c3ccccc31)[C@H]1C(=O)N(C)C(=O)[C@H]12.
What is the InChIKey of (1S,8S,9R,13R)-1-methoxy-11-methyl-8-trimethylsilyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione?
The InChIKey is BLIDVKFEYQJXSJ-NSNWQYSKSA-N. The full InChI is InChI=1S/C17H21NO4Si/c1-18-14(19)12-13(15(18)20)17(23(3,4)5)11-9-7-6-8-10(11)16(12,21-2)22-17/h6-9,12-13H,1-5H3/t12-,13+,16+,17+/m0/s1.
What are the key properties of (1S,8S,9R,13R)-1-methoxy-11-methyl-8-trimethylsilyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione?
(1S,8S,9R,13R)-1-methoxy-11-methyl-8-trimethylsilyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione has a molecular weight of 331.44 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,8S,9R,13R)-1-methoxy-11-methyl-8-trimethylsilyl-14-oxa-11-azatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-triene-10,12-dione is sourced from PubChem (CID 135051392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).