(2,3-dimethyl-3-silylbutan-2-yl)azanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(4+);dichloride

C15H29Cl2NSiTi — CID 173178949

IUPAC(2,3-dimethyl-3-silylbutan-2-yl)azanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(4+);dichloride
SMILESCC(C)([NH-])C(C)(C)[SiH3].CC1=[C-]C(C)C(C)=C1C.[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C9H13.C6H16NSi.2ClH.Ti/c1-6-5-7(2)9(4)8(6)3;1-5(2,7)6(3,4)8;;;/h6H,1-4H3;7H,1-4,8H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyUKRNVFNDBATKMO-UHFFFAOYSA-L
MW370.26 g/mol
LogP-1.89
Rot. Bonds1

About (2,3-dimethyl-3-silylbutan-2-yl)azanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(4+);dichloride

(2,3-dimethyl-3-silylbutan-2-yl)azanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(4+);dichloride (PubChem CID 173178949) has the molecular formula C15H29Cl2NSiTi and a molecular weight of 370.26 g/mol. Its IUPAC name is (2,3-dimethyl-3-silylbutan-2-yl)azanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(4+);dichloride.

Molecular Properties

Compound Name(2,3-dimethyl-3-silylbutan-2-yl)azanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(4+);dichloride
PubChem CID173178949
Molecular FormulaC15H29Cl2NSiTi
Molecular Weight370.26 g/mol
Exact Mass369.09
IUPAC Name(2,3-dimethyl-3-silylbutan-2-yl)azanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(4+);dichloride
SMILESCC(C)([NH-])C(C)(C)[SiH3].CC1=[C-]C(C)C(C)=C1C.[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C9H13.C6H16NSi.2ClH.Ti/c1-6-5-7(2)9(4)8(6)3;1-5(2,7)6(3,4)8;;;/h6H,1-4H3;7H,1-4,8H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyUKRNVFNDBATKMO-UHFFFAOYSA-L
XLogP-1.89
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.26
LogP ≤ 5-1.89
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 (2,3-dimethyl-3-silylbutan-2-yl)azanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(4+);dichloride?
The IUPAC name of (2,3-dimethyl-3-silylbutan-2-yl)azanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(4+);dichloride (CID 173178949) is (2,3-dimethyl-3-silylbutan-2-yl)azanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(4+);dichloride.
What is the SMILES notation for (2,3-dimethyl-3-silylbutan-2-yl)azanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(4+);dichloride?
The canonical SMILES for (2,3-dimethyl-3-silylbutan-2-yl)azanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(4+);dichloride is CC(C)([NH-])C(C)(C)[SiH3].CC1=[C-]C(C)C(C)=C1C.[Cl-].[Cl-].[Ti+4].
What is the InChIKey of (2,3-dimethyl-3-silylbutan-2-yl)azanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(4+);dichloride?
The InChIKey is UKRNVFNDBATKMO-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H13.C6H16NSi.2ClH.Ti/c1-6-5-7(2)9(4)8(6)3;1-5(2,7)6(3,4)8;;;/h6H,1-4H3;7H,1-4,8H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of (2,3-dimethyl-3-silylbutan-2-yl)azanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(4+);dichloride?
(2,3-dimethyl-3-silylbutan-2-yl)azanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(4+);dichloride has a molecular weight of 370.26 g/mol, XLogP of -1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethyl-3-silylbutan-2-yl)azanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(4+);dichloride is sourced from PubChem (CID 173178949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).