dichlorotitanium;bis(2-methylcyclopenta-1,3-diene)

C12H14Cl2Ti-2 — CID 22133448

IUPACdichlorotitanium;bis(2-methylcyclopenta-1,3-diene)
SMILESCC1=[C-]CC=C1.CC1=[C-]CC=C1.Cl[Ti]Cl
InChIInChI=1S/2C6H7.2ClH.Ti/c2*1-6-4-2-3-5-6;;;/h2*2,4H,3H2,1H3;2*1H;/q2*-1;;;+2/p-2
InChIKeyJZKOXAPQQJGMSF-UHFFFAOYSA-L
MW277.02 g/mol
LogP4.77
Rot. Bonds

About dichlorotitanium;bis(2-methylcyclopenta-1,3-diene)

dichlorotitanium;bis(2-methylcyclopenta-1,3-diene) (PubChem CID 22133448) has the molecular formula C12H14Cl2Ti-2 and a molecular weight of 277.02 g/mol. Its IUPAC name is dichlorotitanium;bis(2-methylcyclopenta-1,3-diene).

Molecular Properties

Compound Namedichlorotitanium;bis(2-methylcyclopenta-1,3-diene)
PubChem CID22133448
Molecular FormulaC12H14Cl2Ti-2
Molecular Weight277.02 g/mol
Exact Mass276.00
IUPAC Namedichlorotitanium;bis(2-methylcyclopenta-1,3-diene)
SMILESCC1=[C-]CC=C1.CC1=[C-]CC=C1.Cl[Ti]Cl
InChIInChI=1S/2C6H7.2ClH.Ti/c2*1-6-4-2-3-5-6;;;/h2*2,4H,3H2,1H3;2*1H;/q2*-1;;;+2/p-2
InChIKeyJZKOXAPQQJGMSF-UHFFFAOYSA-L
XLogP4.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.02
LogP ≤ 54.77
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 dichlorotitanium;bis(2-methylcyclopenta-1,3-diene)?
The IUPAC name of dichlorotitanium;bis(2-methylcyclopenta-1,3-diene) (CID 22133448) is dichlorotitanium;bis(2-methylcyclopenta-1,3-diene).
What is the SMILES notation for dichlorotitanium;bis(2-methylcyclopenta-1,3-diene)?
The canonical SMILES for dichlorotitanium;bis(2-methylcyclopenta-1,3-diene) is CC1=[C-]CC=C1.CC1=[C-]CC=C1.Cl[Ti]Cl.
What is the InChIKey of dichlorotitanium;bis(2-methylcyclopenta-1,3-diene)?
The InChIKey is JZKOXAPQQJGMSF-UHFFFAOYSA-L. The full InChI is InChI=1S/2C6H7.2ClH.Ti/c2*1-6-4-2-3-5-6;;;/h2*2,4H,3H2,1H3;2*1H;/q2*-1;;;+2/p-2.
What are the key properties of dichlorotitanium;bis(2-methylcyclopenta-1,3-diene)?
dichlorotitanium;bis(2-methylcyclopenta-1,3-diene) has a molecular weight of 277.02 g/mol, XLogP of 4.77, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorotitanium;bis(2-methylcyclopenta-1,3-diene) is sourced from PubChem (CID 22133448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).