lithium;(2R,6R,11S,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,11,12,16-pentamethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-one;(2R,6R,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icos-10-en-9-one;carbanide;copper(1+)

C59H102CuLiO8Si2 — CID 161009095

IUPAClithium;(2R,6R,11S,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,11,12,16-pentamethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-one;(2R,6R,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icos-10-en-9-one;carbanide;copper(1+)
SMILESCC1(C)O[C@@H]2C3C(CC[C@@]4(C)C3CC[C@@H]4O[Si](C)(C)C(C)(C)C)[C@@]3(C)C=CC(=O)CC3[C@H]2O1.C[C@H]1CC(=O)CC2[C@H]3OC(C)(C)O[C@@H]3C3C(CC[C@@]4(C)C3CC[C@@H]4O[Si](C)(C)C(C)(C)C)[C@]21C.[CH3-].[CH3-].[Cu+].[Li+]
InChIInChI=1S/C29H50O4Si.C28H46O4Si.2CH3.Cu.Li/c1-17-15-18(30)16-21-24-25(32-27(5,6)31-24)23-19-11-12-22(33-34(9,10)26(2,3)4)28(19,7)14-13-20(23)29(17,21)8;1-25(2,3)33(8,9)32-21-11-10-18-22-19(13-15-28(18,21)7)27(6)14-12-17(29)16-20(27)23-24(22)31-26(4,5)30-23;;;;/h17,19-25H,11-16H2,1-10H3;12,14,18-24H,10-11,13,15-16H2,1-9H3;2*1H3;;/q;;2*-1;2*+1/t17-,19?,20?,21?,22-,23?,24+,25+,28-,29+;18?,19?,20?,21-,22?,23+,24+,27+,28-;;;;/m00..../s1
InChIKeySVAYUSOMPSGQQW-MTHMBGTKSA-N
MW1066.12 g/mol
LogP11.38
Rot. Bonds4

About lithium;(2R,6R,11S,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,11,12,16-pentamethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-one;(2R,6R,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icos-10-en-9-one;carbanide;copper(1+)

lithium;(2R,6R,11S,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,11,12,16-pentamethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-one;(2R,6R,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icos-10-en-9-one;carbanide;copper(1+) (PubChem CID 161009095) has the molecular formula C59H102CuLiO8Si2 and a molecular weight of 1066.12 g/mol. Its IUPAC name is lithium;(2R,6R,11S,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,11,12,16-pentamethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-one;(2R,6R,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icos-10-en-9-one;carbanide;copper(1+).

Molecular Properties

Compound Namelithium;(2R,6R,11S,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,11,12,16-pentamethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-one;(2R,6R,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icos-10-en-9-one;carbanide;copper(1+)
PubChem CID161009095
Molecular FormulaC59H102CuLiO8Si2
Molecular Weight1066.12 g/mol
Exact Mass1064.66
IUPAC Namelithium;(2R,6R,11S,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,11,12,16-pentamethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-one;(2R,6R,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icos-10-en-9-one;carbanide;copper(1+)
SMILESCC1(C)O[C@@H]2C3C(CC[C@@]4(C)C3CC[C@@H]4O[Si](C)(C)C(C)(C)C)[C@@]3(C)C=CC(=O)CC3[C@H]2O1.C[C@H]1CC(=O)CC2[C@H]3OC(C)(C)O[C@@H]3C3C(CC[C@@]4(C)C3CC[C@@H]4O[Si](C)(C)C(C)(C)C)[C@]21C.[CH3-].[CH3-].[Cu+].[Li+]
InChIInChI=1S/C29H50O4Si.C28H46O4Si.2CH3.Cu.Li/c1-17-15-18(30)16-21-24-25(32-27(5,6)31-24)23-19-11-12-22(33-34(9,10)26(2,3)4)28(19,7)14-13-20(23)29(17,21)8;1-25(2,3)33(8,9)32-21-11-10-18-22-19(13-15-28(18,21)7)27(6)14-12-17(29)16-20(27)23-24(22)31-26(4,5)30-23;;;;/h17,19-25H,11-16H2,1-10H3;12,14,18-24H,10-11,13,15-16H2,1-9H3;2*1H3;;/q;;2*-1;2*+1/t17-,19?,20?,21?,22-,23?,24+,25+,28-,29+;18?,19?,20?,21-,22?,23+,24+,27+,28-;;;;/m00..../s1
InChIKeySVAYUSOMPSGQQW-MTHMBGTKSA-N
XLogP11.38
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001066.12
LogP ≤ 511.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze lithium;(2R,6R,11S,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,11,12,16-pentamethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-one;(2R,6R,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icos-10-en-9-one;carbanide;copper(1+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,6R,8S,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,8,12,16-pentamethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-one;(2R,6R,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icos-7-en-9-one
CID 162122260
(12R,16S)-9,17-bis[[tert-butyl(dimethyl)silyl]oxy]-4,4,11,12,16-pentamethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-11-ol
CID 54266103
[(1S,8S,9S,10R,13S,14S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-1-yl] methanesulfonate
CID 11569548
(12R,16S)-8,9,17-tris[[tert-butyl(dimethyl)silyl]oxy]-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-14-ol
CID 54455516
(2R,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icos-6-en-9-one
CID 91502167
sodium;bromo-ethyl-triphenyl-λ5-phosphane;(2R,6R,9S,11S,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,12,16-tetramethyl-11-phenylmethoxy-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-ol;(2R,6R,11S,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,12,16-tetramethyl-11-phenylmethoxy-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-one;tert-butyl-dimethyl-[[(2R,6R,9S,11S,12R,16S,17S)-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-yl]oxy]silane;(2R,6R,9S,11S,12R,16S,17Z)-17-ethylidene-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosane;hydride;oxolane;(2R,6R,9S,11S,12R,16S,17S)-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-ol;(2R,6R,9S,11S,12R,16S)-4,4,12,16-tetramethyl-9,11-bis(phenylmethoxy)-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-17-one
CID 159394282
(2R,6R,12S,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-15-hydroxy-4,4,12,15,16-pentamethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-14-one
CID 58710978
(2R,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,12,16-trimethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icos-6-en-9-one
CID 91551091
(5S,10S,13S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-3,10,13-trimethyl-1,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-2-one
CID 91749067
(8R,9R,10R,13S,14S)-17-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-7-(4-methylphenyl)-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
CID 70144991
(1S,2R,3R,5R,11S,12S,15S,16S)-15-[tert-butyl(dimethyl)silyl]oxy-2,16-dimethyl-4-oxapentacyclo[9.7.0.02,8.03,5.012,16]octadec-7-en-6-one
CID 23256524
(7R,8S,9S,10R,13S,14S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-7-[4-(dimethylamino)phenyl]-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
CID 139756984

Frequently Asked Questions

What is the IUPAC name of lithium;(2R,6R,11S,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,11,12,16-pentamethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-one;(2R,6R,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icos-10-en-9-one;carbanide;copper(1+)?
The IUPAC name of lithium;(2R,6R,11S,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,11,12,16-pentamethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-one;(2R,6R,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icos-10-en-9-one;carbanide;copper(1+) (CID 161009095) is lithium;(2R,6R,11S,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,11,12,16-pentamethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-one;(2R,6R,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icos-10-en-9-one;carbanide;copper(1+).
What is the SMILES notation for lithium;(2R,6R,11S,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,11,12,16-pentamethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-one;(2R,6R,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icos-10-en-9-one;carbanide;copper(1+)?
The canonical SMILES for lithium;(2R,6R,11S,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,11,12,16-pentamethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-one;(2R,6R,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icos-10-en-9-one;carbanide;copper(1+) is CC1(C)O[C@@H]2C3C(CC[C@@]4(C)C3CC[C@@H]4O[Si](C)(C)C(C)(C)C)[C@@]3(C)C=CC(=O)CC3[C@H]2O1.C[C@H]1CC(=O)CC2[C@H]3OC(C)(C)O[C@@H]3C3C(CC[C@@]4(C)C3CC[C@@H]4O[Si](C)(C)C(C)(C)C)[C@]21C.[CH3-].[CH3-].[Cu+].[Li+].
What is the InChIKey of lithium;(2R,6R,11S,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,11,12,16-pentamethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-one;(2R,6R,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icos-10-en-9-one;carbanide;copper(1+)?
The InChIKey is SVAYUSOMPSGQQW-MTHMBGTKSA-N. The full InChI is InChI=1S/C29H50O4Si.C28H46O4Si.2CH3.Cu.Li/c1-17-15-18(30)16-21-24-25(32-27(5,6)31-24)23-19-11-12-22(33-34(9,10)26(2,3)4)28(19,7)14-13-20(23)29(17,21)8;1-25(2,3)33(8,9)32-21-11-10-18-22-19(13-15-28(18,21)7)27(6)14-12-17(29)16-20(27)23-24(22)31-26(4,5)30-23;;;;/h17,19-25H,11-16H2,1-10H3;12,14,18-24H,10-11,13,15-16H2,1-9H3;2*1H3;;/q;;2*-1;2*+1/t17-,19?,20?,21?,22-,23?,24+,25+,28-,29+;18?,19?,20?,21-,22?,23+,24+,27+,28-;;;;/m00..../s1.
What are the key properties of lithium;(2R,6R,11S,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,11,12,16-pentamethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-one;(2R,6R,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icos-10-en-9-one;carbanide;copper(1+)?
lithium;(2R,6R,11S,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,11,12,16-pentamethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-one;(2R,6R,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icos-10-en-9-one;carbanide;copper(1+) has a molecular weight of 1066.12 g/mol, XLogP of 11.38, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;(2R,6R,11S,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,11,12,16-pentamethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icosan-9-one;(2R,6R,12R,16S,17S)-17-[tert-butyl(dimethyl)silyl]oxy-4,4,12,16-tetramethyl-3,5-dioxapentacyclo[11.7.0.02,6.07,12.016,20]icos-10-en-9-one;carbanide;copper(1+) is sourced from PubChem (CID 161009095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).