tert-butylazanide;carbanide;ethanol;methanol;silylidenetitanium;1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride

C17H39Cl2NO2SiTi-4 — CID 173212986

IUPACtert-butylazanide;carbanide;ethanol;methanol;silylidenetitanium;1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride
SMILESCC(C)(C)[NH-].CC1=[C-]C(C)C(C)=C1C.CO.Cl.Cl.[CH2-]CO.[CH3-].[SiH2]=[Ti]
InChIInChI=1S/C9H13.C4H10N.C2H5O.CH4O.CH3.2ClH.H2Si.Ti/c1-6-5-7(2)9(4)8(6)3;1-4(2,3)5;1-2-3;1-2;;;;;/h6H,1-4H3;5H,1-3H3;3H,1-2H2;2H,1H3;1H3;2*1H;1H2;/q3*-1;;-1;;;;
InChIKeyCYONAZLBEPXHTI-UHFFFAOYSA-N
MW436.36 g/mol
LogP4.36
Rot. Bonds

About tert-butylazanide;carbanide;ethanol;methanol;silylidenetitanium;1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride

tert-butylazanide;carbanide;ethanol;methanol;silylidenetitanium;1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride (PubChem CID 173212986) has the molecular formula C17H39Cl2NO2SiTi-4 and a molecular weight of 436.36 g/mol. Its IUPAC name is tert-butylazanide;carbanide;ethanol;methanol;silylidenetitanium;1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride.

Molecular Properties

Compound Nametert-butylazanide;carbanide;ethanol;methanol;silylidenetitanium;1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride
PubChem CID173212986
Molecular FormulaC17H39Cl2NO2SiTi-4
Molecular Weight436.36 g/mol
Exact Mass435.16
IUPAC Nametert-butylazanide;carbanide;ethanol;methanol;silylidenetitanium;1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride
SMILESCC(C)(C)[NH-].CC1=[C-]C(C)C(C)=C1C.CO.Cl.Cl.[CH2-]CO.[CH3-].[SiH2]=[Ti]
InChIInChI=1S/C9H13.C4H10N.C2H5O.CH4O.CH3.2ClH.H2Si.Ti/c1-6-5-7(2)9(4)8(6)3;1-4(2,3)5;1-2-3;1-2;;;;;/h6H,1-4H3;5H,1-3H3;3H,1-2H2;2H,1H3;1H3;2*1H;1H2;/q3*-1;;-1;;;;
InChIKeyCYONAZLBEPXHTI-UHFFFAOYSA-N
XLogP4.36
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.36
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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;ethanol;methanol;silylidenetitanium;1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride?
The IUPAC name of tert-butylazanide;carbanide;ethanol;methanol;silylidenetitanium;1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride (CID 173212986) is tert-butylazanide;carbanide;ethanol;methanol;silylidenetitanium;1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride.
What is the SMILES notation for tert-butylazanide;carbanide;ethanol;methanol;silylidenetitanium;1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride?
The canonical SMILES for tert-butylazanide;carbanide;ethanol;methanol;silylidenetitanium;1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride is CC(C)(C)[NH-].CC1=[C-]C(C)C(C)=C1C.CO.Cl.Cl.[CH2-]CO.[CH3-].[SiH2]=[Ti].
What is the InChIKey of tert-butylazanide;carbanide;ethanol;methanol;silylidenetitanium;1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride?
The InChIKey is CYONAZLBEPXHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13.C4H10N.C2H5O.CH4O.CH3.2ClH.H2Si.Ti/c1-6-5-7(2)9(4)8(6)3;1-4(2,3)5;1-2-3;1-2;;;;;/h6H,1-4H3;5H,1-3H3;3H,1-2H2;2H,1H3;1H3;2*1H;1H2;/q3*-1;;-1;;;;.
What are the key properties of tert-butylazanide;carbanide;ethanol;methanol;silylidenetitanium;1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride?
tert-butylazanide;carbanide;ethanol;methanol;silylidenetitanium;1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride has a molecular weight of 436.36 g/mol, XLogP of 4.36, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylazanide;carbanide;ethanol;methanol;silylidenetitanium;1,2,3,5-tetramethylcyclopenta-1,3-diene;dihydrochloride is sourced from PubChem (CID 173212986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).