10-O-propyl 9-O-(2-trimethylsilylethyl) (1R,10R,11E)-11-(dimethylhydrazinylidene)-4-hydroxytricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-9,10-dicarboxylate

C24H36N2O5Si — CID 59059487

IUPAC10-O-propyl 9-O-(2-trimethylsilylethyl) (1R,10R,11E)-11-(dimethylhydrazinylidene)-4-hydroxytricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-9,10-dicarboxylate
SMILESCCCOC(=O)[C@H]1C(C(=O)OCC[Si](C)(C)C)C2C/C(=N\N(C)C)[C@H]1c1cc(O)ccc12
InChIInChI=1S/C24H36N2O5Si/c1-7-10-30-24(29)22-20-17-13-15(27)8-9-16(17)18(14-19(20)25-26(2)3)21(22)23(28)31-11-12-32(4,5)6/h8-9,13,18,20-22,27H,7,10-12,14H2,1-6H3/b25-19+/t18?,20-,21?,22-/m1/s1
InChIKeyRZWDBSWDASZBLO-FSAHCRIWSA-N
MW460.65 g/mol
LogP3.96
Rot. Bonds8

About 10-O-propyl 9-O-(2-trimethylsilylethyl) (1R,10R,11E)-11-(dimethylhydrazinylidene)-4-hydroxytricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-9,10-dicarboxylate

10-O-propyl 9-O-(2-trimethylsilylethyl) (1R,10R,11E)-11-(dimethylhydrazinylidene)-4-hydroxytricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-9,10-dicarboxylate (PubChem CID 59059487) has the molecular formula C24H36N2O5Si and a molecular weight of 460.65 g/mol. Its IUPAC name is 10-O-propyl 9-O-(2-trimethylsilylethyl) (1R,10R,11E)-11-(dimethylhydrazinylidene)-4-hydroxytricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-9,10-dicarboxylate.

Molecular Properties

Compound Name10-O-propyl 9-O-(2-trimethylsilylethyl) (1R,10R,11E)-11-(dimethylhydrazinylidene)-4-hydroxytricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-9,10-dicarboxylate
PubChem CID59059487
Molecular FormulaC24H36N2O5Si
Molecular Weight460.65 g/mol
Exact Mass460.24
IUPAC Name10-O-propyl 9-O-(2-trimethylsilylethyl) (1R,10R,11E)-11-(dimethylhydrazinylidene)-4-hydroxytricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-9,10-dicarboxylate
SMILESCCCOC(=O)[C@H]1C(C(=O)OCC[Si](C)(C)C)C2C/C(=N\N(C)C)[C@H]1c1cc(O)ccc12
InChIInChI=1S/C24H36N2O5Si/c1-7-10-30-24(29)22-20-17-13-15(27)8-9-16(17)18(14-19(20)25-26(2)3)21(22)23(28)31-11-12-32(4,5)6/h8-9,13,18,20-22,27H,7,10-12,14H2,1-6H3/b25-19+/t18?,20-,21?,22-/m1/s1
InChIKeyRZWDBSWDASZBLO-FSAHCRIWSA-N
XLogP3.96
TPSA88.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.65
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-O-propyl 9-O-(2-trimethylsilylethyl) (1R,10R,11E)-11-(dimethylhydrazinylidene)-4-hydroxytricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-9,10-dicarboxylate?
The IUPAC name of 10-O-propyl 9-O-(2-trimethylsilylethyl) (1R,10R,11E)-11-(dimethylhydrazinylidene)-4-hydroxytricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-9,10-dicarboxylate (CID 59059487) is 10-O-propyl 9-O-(2-trimethylsilylethyl) (1R,10R,11E)-11-(dimethylhydrazinylidene)-4-hydroxytricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-9,10-dicarboxylate.
What is the SMILES notation for 10-O-propyl 9-O-(2-trimethylsilylethyl) (1R,10R,11E)-11-(dimethylhydrazinylidene)-4-hydroxytricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-9,10-dicarboxylate?
The canonical SMILES for 10-O-propyl 9-O-(2-trimethylsilylethyl) (1R,10R,11E)-11-(dimethylhydrazinylidene)-4-hydroxytricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-9,10-dicarboxylate is CCCOC(=O)[C@H]1C(C(=O)OCC[Si](C)(C)C)C2C/C(=N\N(C)C)[C@H]1c1cc(O)ccc12.
What is the InChIKey of 10-O-propyl 9-O-(2-trimethylsilylethyl) (1R,10R,11E)-11-(dimethylhydrazinylidene)-4-hydroxytricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-9,10-dicarboxylate?
The InChIKey is RZWDBSWDASZBLO-FSAHCRIWSA-N. The full InChI is InChI=1S/C24H36N2O5Si/c1-7-10-30-24(29)22-20-17-13-15(27)8-9-16(17)18(14-19(20)25-26(2)3)21(22)23(28)31-11-12-32(4,5)6/h8-9,13,18,20-22,27H,7,10-12,14H2,1-6H3/b25-19+/t18?,20-,21?,22-/m1/s1.
What are the key properties of 10-O-propyl 9-O-(2-trimethylsilylethyl) (1R,10R,11E)-11-(dimethylhydrazinylidene)-4-hydroxytricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-9,10-dicarboxylate?
10-O-propyl 9-O-(2-trimethylsilylethyl) (1R,10R,11E)-11-(dimethylhydrazinylidene)-4-hydroxytricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-9,10-dicarboxylate has a molecular weight of 460.65 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-O-propyl 9-O-(2-trimethylsilylethyl) (1R,10R,11E)-11-(dimethylhydrazinylidene)-4-hydroxytricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene-9,10-dicarboxylate is sourced from PubChem (CID 59059487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).