dichlorotitanium;5-methyl-1-propan-2-ylcyclopenta-1,3-diene

C9H14Cl2Ti — CID 174388271

IUPACdichlorotitanium;5-methyl-1-propan-2-ylcyclopenta-1,3-diene
SMILESCC(C)C1=CC=CC1C.Cl[Ti]Cl
InChIInChI=1S/C9H14.2ClH.Ti/c1-7(2)9-6-4-5-8(9)3;;;/h4-8H,1-3H3;2*1H;/q;;;+2/p-2
InChIKeyWFIXSLWTSKZGKI-UHFFFAOYSA-L
MW240.98 g/mol
LogP4.15
Rot. Bonds1

About dichlorotitanium;5-methyl-1-propan-2-ylcyclopenta-1,3-diene

dichlorotitanium;5-methyl-1-propan-2-ylcyclopenta-1,3-diene (PubChem CID 174388271) has the molecular formula C9H14Cl2Ti and a molecular weight of 240.98 g/mol. Its IUPAC name is dichlorotitanium;5-methyl-1-propan-2-ylcyclopenta-1,3-diene.

Molecular Properties

Compound Namedichlorotitanium;5-methyl-1-propan-2-ylcyclopenta-1,3-diene
PubChem CID174388271
Molecular FormulaC9H14Cl2Ti
Molecular Weight240.98 g/mol
Exact Mass240.00
IUPAC Namedichlorotitanium;5-methyl-1-propan-2-ylcyclopenta-1,3-diene
SMILESCC(C)C1=CC=CC1C.Cl[Ti]Cl
InChIInChI=1S/C9H14.2ClH.Ti/c1-7(2)9-6-4-5-8(9)3;;;/h4-8H,1-3H3;2*1H;/q;;;+2/p-2
InChIKeyWFIXSLWTSKZGKI-UHFFFAOYSA-L
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.98
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of dichlorotitanium;5-methyl-1-propan-2-ylcyclopenta-1,3-diene?
The IUPAC name of dichlorotitanium;5-methyl-1-propan-2-ylcyclopenta-1,3-diene (CID 174388271) is dichlorotitanium;5-methyl-1-propan-2-ylcyclopenta-1,3-diene.
What is the SMILES notation for dichlorotitanium;5-methyl-1-propan-2-ylcyclopenta-1,3-diene?
The canonical SMILES for dichlorotitanium;5-methyl-1-propan-2-ylcyclopenta-1,3-diene is CC(C)C1=CC=CC1C.Cl[Ti]Cl.
What is the InChIKey of dichlorotitanium;5-methyl-1-propan-2-ylcyclopenta-1,3-diene?
The InChIKey is WFIXSLWTSKZGKI-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H14.2ClH.Ti/c1-7(2)9-6-4-5-8(9)3;;;/h4-8H,1-3H3;2*1H;/q;;;+2/p-2.
What are the key properties of dichlorotitanium;5-methyl-1-propan-2-ylcyclopenta-1,3-diene?
dichlorotitanium;5-methyl-1-propan-2-ylcyclopenta-1,3-diene has a molecular weight of 240.98 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorotitanium;5-methyl-1-propan-2-ylcyclopenta-1,3-diene is sourced from PubChem (CID 174388271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).