(8R,9R,10S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-14-methoxy-8,10-dimethyl-2-azatetracyclo[7.6.1.02,6.012,16]hexadeca-1(15),3,5,12(16),13-pentaen-7-one

C24H33NO3Si — CID 102051093

IUPAC(8R,9R,10S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-14-methoxy-8,10-dimethyl-2-azatetracyclo[7.6.1.02,6.012,16]hexadeca-1(15),3,5,12(16),13-pentaen-7-one
SMILESCOc1cc2c3c(c1)-n1cccc1C(=O)[C@H](C)[C@H]3[C@H](C)[C@@H]2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H33NO3Si/c1-14-20-15(2)23(28-29(7,8)24(3,4)5)17-12-16(27-6)13-19(21(17)20)25-11-9-10-18(25)22(14)26/h9-15,20,23H,1-8H3/t14-,15+,20+,23+/m1/s1
InChIKeyJRTBMZWPOJPONA-YOTMJQBJSA-N
MW411.62 g/mol
LogP6.11
Rot. Bonds3

About (8R,9R,10S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-14-methoxy-8,10-dimethyl-2-azatetracyclo[7.6.1.02,6.012,16]hexadeca-1(15),3,5,12(16),13-pentaen-7-one

(8R,9R,10S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-14-methoxy-8,10-dimethyl-2-azatetracyclo[7.6.1.02,6.012,16]hexadeca-1(15),3,5,12(16),13-pentaen-7-one (PubChem CID 102051093) has the molecular formula C24H33NO3Si and a molecular weight of 411.62 g/mol. Its IUPAC name is (8R,9R,10S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-14-methoxy-8,10-dimethyl-2-azatetracyclo[7.6.1.02,6.012,16]hexadeca-1(15),3,5,12(16),13-pentaen-7-one.

Molecular Properties

Compound Name(8R,9R,10S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-14-methoxy-8,10-dimethyl-2-azatetracyclo[7.6.1.02,6.012,16]hexadeca-1(15),3,5,12(16),13-pentaen-7-one
PubChem CID102051093
Molecular FormulaC24H33NO3Si
Molecular Weight411.62 g/mol
Exact Mass411.22
IUPAC Name(8R,9R,10S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-14-methoxy-8,10-dimethyl-2-azatetracyclo[7.6.1.02,6.012,16]hexadeca-1(15),3,5,12(16),13-pentaen-7-one
SMILESCOc1cc2c3c(c1)-n1cccc1C(=O)[C@H](C)[C@H]3[C@H](C)[C@@H]2O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H33NO3Si/c1-14-20-15(2)23(28-29(7,8)24(3,4)5)17-12-16(27-6)13-19(21(17)20)25-11-9-10-18(25)22(14)26/h9-15,20,23H,1-8H3/t14-,15+,20+,23+/m1/s1
InChIKeyJRTBMZWPOJPONA-YOTMJQBJSA-N
XLogP6.11
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.62
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (8R,9R,10S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-14-methoxy-8,10-dimethyl-2-azatetracyclo[7.6.1.02,6.012,16]hexadeca-1(15),3,5,12(16),13-pentaen-7-one with MolForge

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Related Compounds

(8S,9S,10R,11R)-11-[tert-butyl(dimethyl)silyl]oxy-14-methoxy-8,10-dimethyl-2-azatetracyclo[7.6.1.02,6.012,16]hexadeca-1(15),3,5,12(16),13-pentaen-7-one
CID 102051092

Frequently Asked Questions

What is the IUPAC name of (8R,9R,10S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-14-methoxy-8,10-dimethyl-2-azatetracyclo[7.6.1.02,6.012,16]hexadeca-1(15),3,5,12(16),13-pentaen-7-one?
The IUPAC name of (8R,9R,10S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-14-methoxy-8,10-dimethyl-2-azatetracyclo[7.6.1.02,6.012,16]hexadeca-1(15),3,5,12(16),13-pentaen-7-one (CID 102051093) is (8R,9R,10S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-14-methoxy-8,10-dimethyl-2-azatetracyclo[7.6.1.02,6.012,16]hexadeca-1(15),3,5,12(16),13-pentaen-7-one.
What is the SMILES notation for (8R,9R,10S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-14-methoxy-8,10-dimethyl-2-azatetracyclo[7.6.1.02,6.012,16]hexadeca-1(15),3,5,12(16),13-pentaen-7-one?
The canonical SMILES for (8R,9R,10S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-14-methoxy-8,10-dimethyl-2-azatetracyclo[7.6.1.02,6.012,16]hexadeca-1(15),3,5,12(16),13-pentaen-7-one is COc1cc2c3c(c1)-n1cccc1C(=O)[C@H](C)[C@H]3[C@H](C)[C@@H]2O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (8R,9R,10S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-14-methoxy-8,10-dimethyl-2-azatetracyclo[7.6.1.02,6.012,16]hexadeca-1(15),3,5,12(16),13-pentaen-7-one?
The InChIKey is JRTBMZWPOJPONA-YOTMJQBJSA-N. The full InChI is InChI=1S/C24H33NO3Si/c1-14-20-15(2)23(28-29(7,8)24(3,4)5)17-12-16(27-6)13-19(21(17)20)25-11-9-10-18(25)22(14)26/h9-15,20,23H,1-8H3/t14-,15+,20+,23+/m1/s1.
What are the key properties of (8R,9R,10S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-14-methoxy-8,10-dimethyl-2-azatetracyclo[7.6.1.02,6.012,16]hexadeca-1(15),3,5,12(16),13-pentaen-7-one?
(8R,9R,10S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-14-methoxy-8,10-dimethyl-2-azatetracyclo[7.6.1.02,6.012,16]hexadeca-1(15),3,5,12(16),13-pentaen-7-one has a molecular weight of 411.62 g/mol, XLogP of 6.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,9R,10S,11S)-11-[tert-butyl(dimethyl)silyl]oxy-14-methoxy-8,10-dimethyl-2-azatetracyclo[7.6.1.02,6.012,16]hexadeca-1(15),3,5,12(16),13-pentaen-7-one is sourced from PubChem (CID 102051093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).