methanolate;bis(naphthalene-1-carboxylic acid);titanium(2+)

C24H22O6Ti — CID 91869033

IUPACmethanolate;bis(naphthalene-1-carboxylic acid);titanium(2+)
SMILESC[O-].C[O-].O=C(O)c1cccc2ccccc12.O=C(O)c1cccc2ccccc12.[Ti+2]
InChIInChI=1S/2C11H8O2.2CH3O.Ti/c2*12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;2*1-2;/h2*1-7H,(H,12,13);2*1H3;/q;;2*-1;+2
InChIKeyOCBUJUKYYGMIHS-UHFFFAOYSA-N
MW454.30 g/mol
LogP3.03
Rot. Bonds2

About methanolate;bis(naphthalene-1-carboxylic acid);titanium(2+)

methanolate;bis(naphthalene-1-carboxylic acid);titanium(2+) (PubChem CID 91869033) has the molecular formula C24H22O6Ti and a molecular weight of 454.30 g/mol. Its IUPAC name is methanolate;bis(naphthalene-1-carboxylic acid);titanium(2+).

Molecular Properties

Compound Namemethanolate;bis(naphthalene-1-carboxylic acid);titanium(2+)
PubChem CID91869033
Molecular FormulaC24H22O6Ti
Molecular Weight454.30 g/mol
Exact Mass454.09
IUPAC Namemethanolate;bis(naphthalene-1-carboxylic acid);titanium(2+)
SMILESC[O-].C[O-].O=C(O)c1cccc2ccccc12.O=C(O)c1cccc2ccccc12.[Ti+2]
InChIInChI=1S/2C11H8O2.2CH3O.Ti/c2*12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;2*1-2;/h2*1-7H,(H,12,13);2*1H3;/q;;2*-1;+2
InChIKeyOCBUJUKYYGMIHS-UHFFFAOYSA-N
XLogP3.03
TPSA120.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.30
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methanolate;bis(naphthalene-1-carboxylic acid);titanium(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804
naphthalene-1-carboxylic acid;propanoic acid
CID 161134976
2-chlorobenzoic acid;naphthalene-1-carboxylic acid
CID 67612368
benzene-1,3,5-tricarboxylic acid;naphthalene-1-carboxylic acid
CID 70544806
2-methylbenzene-1,3-dicarboxylic acid;1-naphthalen-1-ylethanone
CID 174493325
naphthalene-1-carboxylate;tris(naphthalene-1-carboxylic acid);tetraphenylphosphanium
CID 172772010
benzene-1,3-dicarboxylic acid;ethane-1,2-diol;naphthalene-1-carboxylic acid
CID 175531954
bis(2-methylquinolin-8-ol);naphthalene-1-carboxylic acid
CID 175208993
3,6-dioxabicyclo[6.2.2]dodeca-1(10),8,11-triene-2,7-dione;ethene;naphthalene-1-carboxylic acid
CID 158672923
2-methylbenzene-1,3-dicarboxylic acid;1-naphthalen-1-ylpropan-1-one
CID 174507972
cerium;tris(naphthalene-1,5-dicarboxylic acid)
CID 162353954
1-naphthalen-1-ylbutane-1,2-dione
CID 139265593

Frequently Asked Questions

What is the IUPAC name of methanolate;bis(naphthalene-1-carboxylic acid);titanium(2+)?
The IUPAC name of methanolate;bis(naphthalene-1-carboxylic acid);titanium(2+) (CID 91869033) is methanolate;bis(naphthalene-1-carboxylic acid);titanium(2+).
What is the SMILES notation for methanolate;bis(naphthalene-1-carboxylic acid);titanium(2+)?
The canonical SMILES for methanolate;bis(naphthalene-1-carboxylic acid);titanium(2+) is C[O-].C[O-].O=C(O)c1cccc2ccccc12.O=C(O)c1cccc2ccccc12.[Ti+2].
What is the InChIKey of methanolate;bis(naphthalene-1-carboxylic acid);titanium(2+)?
The InChIKey is OCBUJUKYYGMIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H8O2.2CH3O.Ti/c2*12-11(13)10-7-3-5-8-4-1-2-6-9(8)10;2*1-2;/h2*1-7H,(H,12,13);2*1H3;/q;;2*-1;+2.
What are the key properties of methanolate;bis(naphthalene-1-carboxylic acid);titanium(2+)?
methanolate;bis(naphthalene-1-carboxylic acid);titanium(2+) has a molecular weight of 454.30 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanolate;bis(naphthalene-1-carboxylic acid);titanium(2+) is sourced from PubChem (CID 91869033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).