ethanolate;bis(2-methylquinolin-8-olate);bis(titanium(4+))

C32H46N2O8Ti2 — CID 139077877

IUPACethanolate;bis(2-methylquinolin-8-olate);bis(titanium(4+))
SMILESCC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].Cc1ccc2cccc([O-])c2n1.Cc1ccc2cccc([O-])c2n1.[Ti+4].[Ti+4]
InChIInChI=1S/2C10H9NO.6C2H5O.2Ti/c2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;6*1-2-3;;/h2*2-6,12H,1H3;6*2H2,1H3;;/q;;6*-1;2*+4/p-2
InChIKeyXGFAIFAOFKJKCJ-UHFFFAOYSA-L
MW682.46 g/mol
LogP-0.57
Rot. Bonds

About ethanolate;bis(2-methylquinolin-8-olate);bis(titanium(4+))

ethanolate;bis(2-methylquinolin-8-olate);bis(titanium(4+)) (PubChem CID 139077877) has the molecular formula C32H46N2O8Ti2 and a molecular weight of 682.46 g/mol. Its IUPAC name is ethanolate;bis(2-methylquinolin-8-olate);bis(titanium(4+)).

Molecular Properties

Compound Nameethanolate;bis(2-methylquinolin-8-olate);bis(titanium(4+))
PubChem CID139077877
Molecular FormulaC32H46N2O8Ti2
Molecular Weight682.46 g/mol
Exact Mass682.22
IUPAC Nameethanolate;bis(2-methylquinolin-8-olate);bis(titanium(4+))
SMILESCC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].Cc1ccc2cccc([O-])c2n1.Cc1ccc2cccc([O-])c2n1.[Ti+4].[Ti+4]
InChIInChI=1S/2C10H9NO.6C2H5O.2Ti/c2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;6*1-2-3;;/h2*2-6,12H,1H3;6*2H2,1H3;;/q;;6*-1;2*+4/p-2
InChIKeyXGFAIFAOFKJKCJ-UHFFFAOYSA-L
XLogP-0.57
TPSA210.26 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500682.46
LogP ≤ 5-0.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

Cunilate
CID 56840841
Lithium tetra(2-methyl-8-hydroxyquinolinato)boron
CID 23714786
2,2'-(Ethane-1,2-diyl)di(quinolin-8-ol)
CID 15456008
2-[(E)-2-(8-hydroxy-2-quinolyl)vinyl]quinolin-8-ol
CID 135493458
Zinc bis(2-methylquinolin-8-olate)
CID 67132017
Bis(8-hydroxy-2-methylquinoline)-(4-phenylphenoxy)aluminum
CID 24941210
Diisopropoxybis(chinoline-8-olato)titanium(IV)
CID 24202322
Zinc 8-hydroxyquinolinate
CID 162394451
(T-4)-Bis(8-quinolinolato-I masculineN1,I masculineO8)manganese
CID 171041055
Dioctyl-bis(8-quinolyloxy)stannane
CID 16683212
tri(quinolin-8-yloxy)(111In)indigane
CID 16682728
2-Methyl-8-[10-(2-methylquinolin-8-yl)oxydecoxy]quinoline
CID 4143953

Frequently Asked Questions

What is the IUPAC name of ethanolate;bis(2-methylquinolin-8-olate);bis(titanium(4+))?
The IUPAC name of ethanolate;bis(2-methylquinolin-8-olate);bis(titanium(4+)) (CID 139077877) is ethanolate;bis(2-methylquinolin-8-olate);bis(titanium(4+)).
What is the SMILES notation for ethanolate;bis(2-methylquinolin-8-olate);bis(titanium(4+))?
The canonical SMILES for ethanolate;bis(2-methylquinolin-8-olate);bis(titanium(4+)) is CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].Cc1ccc2cccc([O-])c2n1.Cc1ccc2cccc([O-])c2n1.[Ti+4].[Ti+4].
What is the InChIKey of ethanolate;bis(2-methylquinolin-8-olate);bis(titanium(4+))?
The InChIKey is XGFAIFAOFKJKCJ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H9NO.6C2H5O.2Ti/c2*1-7-5-6-8-3-2-4-9(12)10(8)11-7;6*1-2-3;;/h2*2-6,12H,1H3;6*2H2,1H3;;/q;;6*-1;2*+4/p-2.
What are the key properties of ethanolate;bis(2-methylquinolin-8-olate);bis(titanium(4+))?
ethanolate;bis(2-methylquinolin-8-olate);bis(titanium(4+)) has a molecular weight of 682.46 g/mol, XLogP of -0.57, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethanolate;bis(2-methylquinolin-8-olate);bis(titanium(4+)) is sourced from PubChem (CID 139077877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).