2-methylpropan-1-olate;propan-2-olate;bis(pyridin-2-ylmethanolate);titanium(4+)

C19H28N2O4Ti — CID 139128836

IUPAC2-methylpropan-1-olate;propan-2-olate;bis(pyridin-2-ylmethanolate);titanium(4+)
SMILESCC(C)C[O-].CC(C)[O-].[O-]Cc1ccccn1.[O-]Cc1ccccn1.[Ti+4]
InChIInChI=1S/2C6H6NO.C4H9O.C3H7O.Ti/c2*8-5-6-3-1-2-4-7-6;1-4(2)3-5;1-3(2)4;/h2*1-4H,5H2;4H,3H2,1-2H3;3H,1-2H3;/q4*-1;+4
InChIKeyNFFIXADNEUZTMJ-UHFFFAOYSA-N
MW396.31 g/mol
LogP-0.36
Rot. Bonds3

About 2-methylpropan-1-olate;propan-2-olate;bis(pyridin-2-ylmethanolate);titanium(4+)

2-methylpropan-1-olate;propan-2-olate;bis(pyridin-2-ylmethanolate);titanium(4+) (PubChem CID 139128836) has the molecular formula C19H28N2O4Ti and a molecular weight of 396.31 g/mol. Its IUPAC name is 2-methylpropan-1-olate;propan-2-olate;bis(pyridin-2-ylmethanolate);titanium(4+).

Molecular Properties

Compound Name2-methylpropan-1-olate;propan-2-olate;bis(pyridin-2-ylmethanolate);titanium(4+)
PubChem CID139128836
Molecular FormulaC19H28N2O4Ti
Molecular Weight396.31 g/mol
Exact Mass396.15
IUPAC Name2-methylpropan-1-olate;propan-2-olate;bis(pyridin-2-ylmethanolate);titanium(4+)
SMILESCC(C)C[O-].CC(C)[O-].[O-]Cc1ccccn1.[O-]Cc1ccccn1.[Ti+4]
InChIInChI=1S/2C6H6NO.C4H9O.C3H7O.Ti/c2*8-5-6-3-1-2-4-7-6;1-4(2)3-5;1-3(2)4;/h2*1-4H,5H2;4H,3H2,1-2H3;3H,1-2H3;/q4*-1;+4
InChIKeyNFFIXADNEUZTMJ-UHFFFAOYSA-N
XLogP-0.36
TPSA118.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.31
LogP ≤ 5-0.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,2'-[(1,1,3,3,5,5-Hexamethyltrisiloxane-1,5-diyl)bis(oxymethylene)]dipyridine
CID 91724265
(3R,5S)-2-methyl-3-[(3S,5R)-2-methyl-5-pyridin-2-yl-1,2-oxazolidin-3-yl]-5-pyridin-2-yl-1,2-oxazolidine
CID 1388291
Copper(II) 2-pyridylmethanolate tetrahydrate
CID 129734415
bis(4,4-dimethyl-2-pyridin-2-yl-5H-1,3-oxazole);nickel
CID 134991135
(3) Ti(OPy)2(ONep)2
CID 139063956
Bis[(5-bromopyridin-2-yl)methanolato-kappa^2^N,O]copper(II) monohydrate
CID 139086150
(4) Ti(OPy)2(OPri)2
CID 139128834
(5) Ti(Opy)2(Obut)2
CID 139128835
(23) OPy2Ti(TPS)2
CID 139128848
(24) Ti(OPy)2(TOBS)2
CID 139128849
[Cu(dmppy)(py)]2
CID 139134027
[Cu(dmppy)(H2O)(py)]
CID 139134029

Frequently Asked Questions

What is the IUPAC name of 2-methylpropan-1-olate;propan-2-olate;bis(pyridin-2-ylmethanolate);titanium(4+)?
The IUPAC name of 2-methylpropan-1-olate;propan-2-olate;bis(pyridin-2-ylmethanolate);titanium(4+) (CID 139128836) is 2-methylpropan-1-olate;propan-2-olate;bis(pyridin-2-ylmethanolate);titanium(4+).
What is the SMILES notation for 2-methylpropan-1-olate;propan-2-olate;bis(pyridin-2-ylmethanolate);titanium(4+)?
The canonical SMILES for 2-methylpropan-1-olate;propan-2-olate;bis(pyridin-2-ylmethanolate);titanium(4+) is CC(C)C[O-].CC(C)[O-].[O-]Cc1ccccn1.[O-]Cc1ccccn1.[Ti+4].
What is the InChIKey of 2-methylpropan-1-olate;propan-2-olate;bis(pyridin-2-ylmethanolate);titanium(4+)?
The InChIKey is NFFIXADNEUZTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6NO.C4H9O.C3H7O.Ti/c2*8-5-6-3-1-2-4-7-6;1-4(2)3-5;1-3(2)4;/h2*1-4H,5H2;4H,3H2,1-2H3;3H,1-2H3;/q4*-1;+4.
What are the key properties of 2-methylpropan-1-olate;propan-2-olate;bis(pyridin-2-ylmethanolate);titanium(4+)?
2-methylpropan-1-olate;propan-2-olate;bis(pyridin-2-ylmethanolate);titanium(4+) has a molecular weight of 396.31 g/mol, XLogP of -0.36, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropan-1-olate;propan-2-olate;bis(pyridin-2-ylmethanolate);titanium(4+) is sourced from PubChem (CID 139128836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).