tert-butylazanide;dimethylsilylidenetitanium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride

C15H29Cl2NSiTi-2 — CID 87792047

IUPACtert-butylazanide;dimethylsilylidenetitanium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride
SMILESCC(C)(C)[NH-].CC1=[C-]C(C)C(C)=C1C.C[Si](C)=[Ti+2].[Cl-].[Cl-]
InChIInChI=1S/C9H13.C4H10N.C2H6Si.2ClH.Ti/c1-6-5-7(2)9(4)8(6)3;1-4(2,3)5;1-3-2;;;/h6H,1-4H3;5H,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyQJMNXYUVNIHUQG-UHFFFAOYSA-L
MW370.26 g/mol
LogP-0.65
Rot. Bonds

About tert-butylazanide;dimethylsilylidenetitanium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride

tert-butylazanide;dimethylsilylidenetitanium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride (PubChem CID 87792047) has the molecular formula C15H29Cl2NSiTi-2 and a molecular weight of 370.26 g/mol. Its IUPAC name is tert-butylazanide;dimethylsilylidenetitanium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride.

Molecular Properties

Compound Nametert-butylazanide;dimethylsilylidenetitanium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride
PubChem CID87792047
Molecular FormulaC15H29Cl2NSiTi-2
Molecular Weight370.26 g/mol
Exact Mass369.09
IUPAC Nametert-butylazanide;dimethylsilylidenetitanium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride
SMILESCC(C)(C)[NH-].CC1=[C-]C(C)C(C)=C1C.C[Si](C)=[Ti+2].[Cl-].[Cl-]
InChIInChI=1S/C9H13.C4H10N.C2H6Si.2ClH.Ti/c1-6-5-7(2)9(4)8(6)3;1-4(2,3)5;1-3-2;;;/h6H,1-4H3;5H,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2
InChIKeyQJMNXYUVNIHUQG-UHFFFAOYSA-L
XLogP-0.65
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.26
LogP ≤ 5-0.65
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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butylazanide;dimethylsilylidenetitanium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride?
The IUPAC name of tert-butylazanide;dimethylsilylidenetitanium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride (CID 87792047) is tert-butylazanide;dimethylsilylidenetitanium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride.
What is the SMILES notation for tert-butylazanide;dimethylsilylidenetitanium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride?
The canonical SMILES for tert-butylazanide;dimethylsilylidenetitanium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride is CC(C)(C)[NH-].CC1=[C-]C(C)C(C)=C1C.C[Si](C)=[Ti+2].[Cl-].[Cl-].
What is the InChIKey of tert-butylazanide;dimethylsilylidenetitanium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride?
The InChIKey is QJMNXYUVNIHUQG-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H13.C4H10N.C2H6Si.2ClH.Ti/c1-6-5-7(2)9(4)8(6)3;1-4(2,3)5;1-3-2;;;/h6H,1-4H3;5H,1-3H3;1-2H3;2*1H;/q2*-1;;;;+2/p-2.
What are the key properties of tert-butylazanide;dimethylsilylidenetitanium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride?
tert-butylazanide;dimethylsilylidenetitanium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride has a molecular weight of 370.26 g/mol, XLogP of -0.65, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butylazanide;dimethylsilylidenetitanium(2+);1,2,3,5-tetramethylcyclopenta-1,3-diene;dichloride is sourced from PubChem (CID 87792047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).