dimethylazanide;ethane;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dichloride

C13H24Cl2NTi-3 — CID 87977835

IUPACdimethylazanide;ethane;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dichloride
SMILESCC1=[C-]C(C)C(C)=C1C.C[N-]C.[CH2-]C.[Cl-].[Cl-].[Ti+2]
InChIInChI=1S/C9H13.C2H6N.C2H5.2ClH.Ti/c1-6-5-7(2)9(4)8(6)3;1-3-2;1-2;;;/h6H,1-4H3;1-2H3;1H2,2H3;2*1H;/q3*-1;;;+2/p-2
InChIKeyYZVVBROFDVCJAL-UHFFFAOYSA-L
MW313.12 g/mol
LogP-1.81
Rot. Bonds

About dimethylazanide;ethane;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dichloride

dimethylazanide;ethane;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dichloride (PubChem CID 87977835) has the molecular formula C13H24Cl2NTi-3 and a molecular weight of 313.12 g/mol. Its IUPAC name is dimethylazanide;ethane;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dichloride.

Molecular Properties

Compound Namedimethylazanide;ethane;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dichloride
PubChem CID87977835
Molecular FormulaC13H24Cl2NTi-3
Molecular Weight313.12 g/mol
Exact Mass312.08
IUPAC Namedimethylazanide;ethane;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dichloride
SMILESCC1=[C-]C(C)C(C)=C1C.C[N-]C.[CH2-]C.[Cl-].[Cl-].[Ti+2]
InChIInChI=1S/C9H13.C2H6N.C2H5.2ClH.Ti/c1-6-5-7(2)9(4)8(6)3;1-3-2;1-2;;;/h6H,1-4H3;1-2H3;1H2,2H3;2*1H;/q3*-1;;;+2/p-2
InChIKeyYZVVBROFDVCJAL-UHFFFAOYSA-L
XLogP-1.81
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.12
LogP ≤ 5-1.81
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 dimethylazanide;ethane;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dichloride?
The IUPAC name of dimethylazanide;ethane;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dichloride (CID 87977835) is dimethylazanide;ethane;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dichloride.
What is the SMILES notation for dimethylazanide;ethane;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dichloride?
The canonical SMILES for dimethylazanide;ethane;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dichloride is CC1=[C-]C(C)C(C)=C1C.C[N-]C.[CH2-]C.[Cl-].[Cl-].[Ti+2].
What is the InChIKey of dimethylazanide;ethane;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dichloride?
The InChIKey is YZVVBROFDVCJAL-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H13.C2H6N.C2H5.2ClH.Ti/c1-6-5-7(2)9(4)8(6)3;1-3-2;1-2;;;/h6H,1-4H3;1-2H3;1H2,2H3;2*1H;/q3*-1;;;+2/p-2.
What are the key properties of dimethylazanide;ethane;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dichloride?
dimethylazanide;ethane;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dichloride has a molecular weight of 313.12 g/mol, XLogP of -1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylazanide;ethane;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(2+);dichloride is sourced from PubChem (CID 87977835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).