carbanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(4+);dichloride

C10H16Cl2Ti — CID 87907692

IUPACcarbanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(4+);dichloride
SMILESCc1c[c-](C)c(C)c1C.[CH3-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C9H13.CH3.2ClH.Ti/c1-6-5-7(2)9(4)8(6)3;;;;/h5H,1-4H3;1H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyGNHNXYFDLKVLJN-UHFFFAOYSA-L
MW255.01 g/mol
LogP-2.91
Rot. Bonds

About carbanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(4+);dichloride

carbanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(4+);dichloride (PubChem CID 87907692) has the molecular formula C10H16Cl2Ti and a molecular weight of 255.01 g/mol. Its IUPAC name is carbanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(4+);dichloride.

Molecular Properties

Compound Namecarbanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(4+);dichloride
PubChem CID87907692
Molecular FormulaC10H16Cl2Ti
Molecular Weight255.01 g/mol
Exact Mass254.01
IUPAC Namecarbanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(4+);dichloride
SMILESCc1c[c-](C)c(C)c1C.[CH3-].[Cl-].[Cl-].[Ti+4]
InChIInChI=1S/C9H13.CH3.2ClH.Ti/c1-6-5-7(2)9(4)8(6)3;;;;/h5H,1-4H3;1H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyGNHNXYFDLKVLJN-UHFFFAOYSA-L
XLogP-2.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.01
LogP ≤ 5-2.91
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 carbanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(4+);dichloride?
The IUPAC name of carbanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(4+);dichloride (CID 87907692) is carbanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(4+);dichloride.
What is the SMILES notation for carbanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(4+);dichloride?
The canonical SMILES for carbanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(4+);dichloride is Cc1c[c-](C)c(C)c1C.[CH3-].[Cl-].[Cl-].[Ti+4].
What is the InChIKey of carbanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(4+);dichloride?
The InChIKey is GNHNXYFDLKVLJN-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H13.CH3.2ClH.Ti/c1-6-5-7(2)9(4)8(6)3;;;;/h5H,1-4H3;1H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of carbanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(4+);dichloride?
carbanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(4+);dichloride has a molecular weight of 255.01 g/mol, XLogP of -2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;1,2,3,5-tetramethylcyclopenta-1,3-diene;titanium(4+);dichloride is sourced from PubChem (CID 87907692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).