tert-butyl-[(2,3-dimethyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-dimethylsilyl]azanide;carbanide;titanium(4+)

C23H47NSiTi — CID 140621616

IUPACtert-butyl-[(2,3-dimethyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-dimethylsilyl]azanide;carbanide;titanium(4+)
SMILESCC1C(C)C([Si](C)(C)[N-]C(C)(C)C)C2CC3CCCC3CC12.[CH3-].[CH3-].[CH3-].[Ti+4]
InChIInChI=1S/C20H38NSi.3CH3.Ti/c1-13-14(2)19(22(6,7)21-20(3,4)5)18-12-16-10-8-9-15(16)11-17(13)18;;;;/h13-19H,8-12H2,1-7H3;3*1H3;/q4*-1;+4
InChIKeyKRVIZLJECYBTID-UHFFFAOYSA-N
MW413.59 g/mol
LogP7.81
Rot. Bonds2

About tert-butyl-[(2,3-dimethyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-dimethylsilyl]azanide;carbanide;titanium(4+)

tert-butyl-[(2,3-dimethyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-dimethylsilyl]azanide;carbanide;titanium(4+) (PubChem CID 140621616) has the molecular formula C23H47NSiTi and a molecular weight of 413.59 g/mol. Its IUPAC name is tert-butyl-[(2,3-dimethyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-dimethylsilyl]azanide;carbanide;titanium(4+).

Molecular Properties

Compound Nametert-butyl-[(2,3-dimethyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-dimethylsilyl]azanide;carbanide;titanium(4+)
PubChem CID140621616
Molecular FormulaC23H47NSiTi
Molecular Weight413.59 g/mol
Exact Mass413.30
IUPAC Nametert-butyl-[(2,3-dimethyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-dimethylsilyl]azanide;carbanide;titanium(4+)
SMILESCC1C(C)C([Si](C)(C)[N-]C(C)(C)C)C2CC3CCCC3CC12.[CH3-].[CH3-].[CH3-].[Ti+4]
InChIInChI=1S/C20H38NSi.3CH3.Ti/c1-13-14(2)19(22(6,7)21-20(3,4)5)18-12-16-10-8-9-15(16)11-17(13)18;;;;/h13-19H,8-12H2,1-7H3;3*1H3;/q4*-1;+4
InChIKeyKRVIZLJECYBTID-UHFFFAOYSA-N
XLogP7.81
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.59
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze tert-butyl-[(2,3-dimethyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-dimethylsilyl]azanide;carbanide;titanium(4+) with MolForge

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Related Compounds

1,2,3-trimethyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacene
CID 59883784
tert-butyl-[dimethyl-[(2R,3R)-2,3,4,5-tetramethylcyclopentyl]silyl]azanide;carbanide;bis(dimethylazanide);uranium(4+)
CID 58150597
tert-butyl-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;carbanide;dichlorozirconium(2+)
CID 59952407
(4aS,8aR)-1,2,3-trimethyl-2,3,3a,4,4a,5,6,7,8,8a,9,9a-dodecahydro-1H-cyclopenta[b]naphthalene
CID 123960499
CID 91866536
CID 91866536
tert-butyl-[dimethyl-(2,3,4,5-tetramethylcyclopentyl)silyl]azanide;(Z)-2,3-dimethanidylbut-2-ene;titanium(4+)
CID 23229458
bis(tert-butyl-[dimethyl-(3-phenyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)silyl]azanide);carbanide;methane;(3E)-penta-1,3-diene;titanium(3+);titanium(4+)
CID 162270826
tert-butyl-[(5-ethyl-2,3,4,4a,5a,6,6a,7,8,9,10,10a,10b,10c-tetradecahydro-1H-indeno[2,1-b]indol-6-yl)-dimethylsilyl]azanide;carbanide;titanium(4+)
CID 146899502
cyclohexyl-[4-(3,5-ditert-butylcyclohexyl)-2-methyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl]-methyl-(2,3,4,5-tetramethylcyclopentyl)silane
CID 164791074
tert-butyl-[[4-(4-tert-butylcyclohexyl)-2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]silyl]azanide;carbanide;titanium(4+)
CID 162699641
tert-butyl-[methyl-[6-[(2-methylpropan-2-yl)oxy]hexyl]-(2,4,5-trimethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]thiophen-6-yl)silyl]azanide;carbanide;titanium(4+)
CID 164779478
5,6-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 14415240

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2,3-dimethyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-dimethylsilyl]azanide;carbanide;titanium(4+)?
The IUPAC name of tert-butyl-[(2,3-dimethyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-dimethylsilyl]azanide;carbanide;titanium(4+) (CID 140621616) is tert-butyl-[(2,3-dimethyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-dimethylsilyl]azanide;carbanide;titanium(4+).
What is the SMILES notation for tert-butyl-[(2,3-dimethyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-dimethylsilyl]azanide;carbanide;titanium(4+)?
The canonical SMILES for tert-butyl-[(2,3-dimethyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-dimethylsilyl]azanide;carbanide;titanium(4+) is CC1C(C)C([Si](C)(C)[N-]C(C)(C)C)C2CC3CCCC3CC12.[CH3-].[CH3-].[CH3-].[Ti+4].
What is the InChIKey of tert-butyl-[(2,3-dimethyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-dimethylsilyl]azanide;carbanide;titanium(4+)?
The InChIKey is KRVIZLJECYBTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38NSi.3CH3.Ti/c1-13-14(2)19(22(6,7)21-20(3,4)5)18-12-16-10-8-9-15(16)11-17(13)18;;;;/h13-19H,8-12H2,1-7H3;3*1H3;/q4*-1;+4.
What are the key properties of tert-butyl-[(2,3-dimethyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-dimethylsilyl]azanide;carbanide;titanium(4+)?
tert-butyl-[(2,3-dimethyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-dimethylsilyl]azanide;carbanide;titanium(4+) has a molecular weight of 413.59 g/mol, XLogP of 7.81, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2,3-dimethyl-1,2,3,3a,4,4a,5,6,7,7a,8,8a-dodecahydro-s-indacen-1-yl)-dimethylsilyl]azanide;carbanide;titanium(4+) is sourced from PubChem (CID 140621616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).