ditert-butylazanide;2-methyl-1H-inden-1-ide;titanium(4+);dichloride

C18H27Cl2NTi — CID 23450531

IUPACditert-butylazanide;2-methyl-1H-inden-1-ide;titanium(4+);dichloride
SMILESCC(C)(C)[N-]C(C)(C)C.Cc1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C10H9.C8H18N.2ClH.Ti/c1-8-6-9-4-2-3-5-10(9)7-8;1-7(2,3)9-8(4,5)6;;;/h2-7H,1H3;1-6H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyGUVUCBWDKBICOP-UHFFFAOYSA-L
MW376.19 g/mol
LogP-0.17
Rot. Bonds

About ditert-butylazanide;2-methyl-1H-inden-1-ide;titanium(4+);dichloride

ditert-butylazanide;2-methyl-1H-inden-1-ide;titanium(4+);dichloride (PubChem CID 23450531) has the molecular formula C18H27Cl2NTi and a molecular weight of 376.19 g/mol. Its IUPAC name is ditert-butylazanide;2-methyl-1H-inden-1-ide;titanium(4+);dichloride.

Molecular Properties

Compound Nameditert-butylazanide;2-methyl-1H-inden-1-ide;titanium(4+);dichloride
PubChem CID23450531
Molecular FormulaC18H27Cl2NTi
Molecular Weight376.19 g/mol
Exact Mass375.10
IUPAC Nameditert-butylazanide;2-methyl-1H-inden-1-ide;titanium(4+);dichloride
SMILESCC(C)(C)[N-]C(C)(C)C.Cc1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C10H9.C8H18N.2ClH.Ti/c1-8-6-9-4-2-3-5-10(9)7-8;1-7(2,3)9-8(4,5)6;;;/h2-7H,1H3;1-6H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyGUVUCBWDKBICOP-UHFFFAOYSA-L
XLogP-0.17
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.19
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ditert-butylazanide;2-methyl-1H-inden-1-ide;titanium(4+);dichloride?
The IUPAC name of ditert-butylazanide;2-methyl-1H-inden-1-ide;titanium(4+);dichloride (CID 23450531) is ditert-butylazanide;2-methyl-1H-inden-1-ide;titanium(4+);dichloride.
What is the SMILES notation for ditert-butylazanide;2-methyl-1H-inden-1-ide;titanium(4+);dichloride?
The canonical SMILES for ditert-butylazanide;2-methyl-1H-inden-1-ide;titanium(4+);dichloride is CC(C)(C)[N-]C(C)(C)C.Cc1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Ti+4].
What is the InChIKey of ditert-butylazanide;2-methyl-1H-inden-1-ide;titanium(4+);dichloride?
The InChIKey is GUVUCBWDKBICOP-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H9.C8H18N.2ClH.Ti/c1-8-6-9-4-2-3-5-10(9)7-8;1-7(2,3)9-8(4,5)6;;;/h2-7H,1H3;1-6H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of ditert-butylazanide;2-methyl-1H-inden-1-ide;titanium(4+);dichloride?
ditert-butylazanide;2-methyl-1H-inden-1-ide;titanium(4+);dichloride has a molecular weight of 376.19 g/mol, XLogP of -0.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butylazanide;2-methyl-1H-inden-1-ide;titanium(4+);dichloride is sourced from PubChem (CID 23450531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).