cyclopenta-1,3-diene;dichlorotitanium;naphthalen-2-ol

C15H13Cl2OTi- — CID 156699772

IUPACcyclopenta-1,3-diene;dichlorotitanium;naphthalen-2-ol
SMILESCl[Ti]Cl.Oc1ccc2ccccc2c1.c1cc[cH-]c1
InChIInChI=1S/C10H8O.C5H5.2ClH.Ti/c11-10-6-5-8-3-1-2-4-9(8)7-10;1-2-4-5-3-1;;;/h1-7,11H;1-5H;2*1H;/q;-1;;;+2/p-2
InChIKeyDUEVWLIZQASCDD-UHFFFAOYSA-L
MW328.04 g/mol
LogP5.33
Rot. Bonds

About cyclopenta-1,3-diene;dichlorotitanium;naphthalen-2-ol

cyclopenta-1,3-diene;dichlorotitanium;naphthalen-2-ol (PubChem CID 156699772) has the molecular formula C15H13Cl2OTi- and a molecular weight of 328.04 g/mol. Its IUPAC name is cyclopenta-1,3-diene;dichlorotitanium;naphthalen-2-ol.

Molecular Properties

Compound Namecyclopenta-1,3-diene;dichlorotitanium;naphthalen-2-ol
PubChem CID156699772
Molecular FormulaC15H13Cl2OTi-
Molecular Weight328.04 g/mol
Exact Mass326.98
IUPAC Namecyclopenta-1,3-diene;dichlorotitanium;naphthalen-2-ol
SMILESCl[Ti]Cl.Oc1ccc2ccccc2c1.c1cc[cH-]c1
InChIInChI=1S/C10H8O.C5H5.2ClH.Ti/c11-10-6-5-8-3-1-2-4-9(8)7-10;1-2-4-5-3-1;;;/h1-7,11H;1-5H;2*1H;/q;-1;;;+2/p-2
InChIKeyDUEVWLIZQASCDD-UHFFFAOYSA-L
XLogP5.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.04
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;dichlorotitanium;naphthalen-2-ol?
The IUPAC name of cyclopenta-1,3-diene;dichlorotitanium;naphthalen-2-ol (CID 156699772) is cyclopenta-1,3-diene;dichlorotitanium;naphthalen-2-ol.
What is the SMILES notation for cyclopenta-1,3-diene;dichlorotitanium;naphthalen-2-ol?
The canonical SMILES for cyclopenta-1,3-diene;dichlorotitanium;naphthalen-2-ol is Cl[Ti]Cl.Oc1ccc2ccccc2c1.c1cc[cH-]c1.
What is the InChIKey of cyclopenta-1,3-diene;dichlorotitanium;naphthalen-2-ol?
The InChIKey is DUEVWLIZQASCDD-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H8O.C5H5.2ClH.Ti/c11-10-6-5-8-3-1-2-4-9(8)7-10;1-2-4-5-3-1;;;/h1-7,11H;1-5H;2*1H;/q;-1;;;+2/p-2.
What are the key properties of cyclopenta-1,3-diene;dichlorotitanium;naphthalen-2-ol?
cyclopenta-1,3-diene;dichlorotitanium;naphthalen-2-ol has a molecular weight of 328.04 g/mol, XLogP of 5.33, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;dichlorotitanium;naphthalen-2-ol is sourced from PubChem (CID 156699772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).