tert-butylazanide;carbanide;methylidenetitanium;2-methyl-1H-inden-1-ide;trimethyl(propoxy)silane;dihydrochloride

C22H41Cl2NOSiTi-4 — CID 87936478

IUPACtert-butylazanide;carbanide;methylidenetitanium;2-methyl-1H-inden-1-ide;trimethyl(propoxy)silane;dihydrochloride
SMILESC=[Ti].CC(C)(C)[NH-].Cc1cc2ccccc2[cH-]1.Cl.Cl.[CH2-]CCO[Si](C)(C)C.[CH3-]
InChIInChI=1S/C10H9.C6H15OSi.C4H10N.CH3.CH2.2ClH.Ti/c1-8-6-9-4-2-3-5-10(9)7-8;1-5-6-7-8(2,3)4;1-4(2,3)5;;;;;/h2-7H,1H3;1,5-6H2,2-4H3;5H,1-3H3;1H3;1H2;2*1H;/q4*-1;;;;
InChIKeyRKDREIWGIDJSKD-UHFFFAOYSA-N
MW482.44 g/mol
LogP8.03
Rot. Bonds3

About tert-butylazanide;carbanide;methylidenetitanium;2-methyl-1H-inden-1-ide;trimethyl(propoxy)silane;dihydrochloride

tert-butylazanide;carbanide;methylidenetitanium;2-methyl-1H-inden-1-ide;trimethyl(propoxy)silane;dihydrochloride (PubChem CID 87936478) has the molecular formula C22H41Cl2NOSiTi-4 and a molecular weight of 482.44 g/mol. Its IUPAC name is tert-butylazanide;carbanide;methylidenetitanium;2-methyl-1H-inden-1-ide;trimethyl(propoxy)silane;dihydrochloride.

Molecular Properties

Compound Nametert-butylazanide;carbanide;methylidenetitanium;2-methyl-1H-inden-1-ide;trimethyl(propoxy)silane;dihydrochloride
PubChem CID87936478
Molecular FormulaC22H41Cl2NOSiTi-4
Molecular Weight482.44 g/mol
Exact Mass481.18
IUPAC Nametert-butylazanide;carbanide;methylidenetitanium;2-methyl-1H-inden-1-ide;trimethyl(propoxy)silane;dihydrochloride
SMILESC=[Ti].CC(C)(C)[NH-].Cc1cc2ccccc2[cH-]1.Cl.Cl.[CH2-]CCO[Si](C)(C)C.[CH3-]
InChIInChI=1S/C10H9.C6H15OSi.C4H10N.CH3.CH2.2ClH.Ti/c1-8-6-9-4-2-3-5-10(9)7-8;1-5-6-7-8(2,3)4;1-4(2,3)5;;;;;/h2-7H,1H3;1,5-6H2,2-4H3;5H,1-3H3;1H3;1H2;2*1H;/q4*-1;;;;
InChIKeyRKDREIWGIDJSKD-UHFFFAOYSA-N
XLogP8.03
TPSA33.03 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.44
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butylazanide;carbanide;methylidenetitanium;2-methyl-1H-inden-1-ide;trimethyl(propoxy)silane;dihydrochloride?
The IUPAC name of tert-butylazanide;carbanide;methylidenetitanium;2-methyl-1H-inden-1-ide;trimethyl(propoxy)silane;dihydrochloride (CID 87936478) is tert-butylazanide;carbanide;methylidenetitanium;2-methyl-1H-inden-1-ide;trimethyl(propoxy)silane;dihydrochloride.
What is the SMILES notation for tert-butylazanide;carbanide;methylidenetitanium;2-methyl-1H-inden-1-ide;trimethyl(propoxy)silane;dihydrochloride?
The canonical SMILES for tert-butylazanide;carbanide;methylidenetitanium;2-methyl-1H-inden-1-ide;trimethyl(propoxy)silane;dihydrochloride is C=[Ti].CC(C)(C)[NH-].Cc1cc2ccccc2[cH-]1.Cl.Cl.[CH2-]CCO[Si](C)(C)C.[CH3-].
What is the InChIKey of tert-butylazanide;carbanide;methylidenetitanium;2-methyl-1H-inden-1-ide;trimethyl(propoxy)silane;dihydrochloride?
The InChIKey is RKDREIWGIDJSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9.C6H15OSi.C4H10N.CH3.CH2.2ClH.Ti/c1-8-6-9-4-2-3-5-10(9)7-8;1-5-6-7-8(2,3)4;1-4(2,3)5;;;;;/h2-7H,1H3;1,5-6H2,2-4H3;5H,1-3H3;1H3;1H2;2*1H;/q4*-1;;;;.
What are the key properties of tert-butylazanide;carbanide;methylidenetitanium;2-methyl-1H-inden-1-ide;trimethyl(propoxy)silane;dihydrochloride?
tert-butylazanide;carbanide;methylidenetitanium;2-methyl-1H-inden-1-ide;trimethyl(propoxy)silane;dihydrochloride has a molecular weight of 482.44 g/mol, XLogP of 8.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylazanide;carbanide;methylidenetitanium;2-methyl-1H-inden-1-ide;trimethyl(propoxy)silane;dihydrochloride is sourced from PubChem (CID 87936478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).