bis(2-[bis(2-hydroxyethyl)amino]ethanol);hydroxy(oxo)titanium;propan-2-ol

C15H39N2O9Ti — CID 88709706

IUPACbis(2-[bis(2-hydroxyethyl)amino]ethanol);hydroxy(oxo)titanium;propan-2-ol
SMILESCC(C)O.O=[Ti]O.OCCN(CCO)CCO.OCCN(CCO)CCO
InChIInChI=1S/2C6H15NO3.C3H8O.H2O.O.Ti/c2*8-4-1-7(2-5-9)3-6-10;1-3(2)4;;;/h2*8-10H,1-6H2;3-4H,1-2H3;1H2;;/q;;;;;+1/p-1
InChIKeyHMFQYXLQZPBNJN-UHFFFAOYSA-M
MW439.35 g/mol
LogP-3.76
Rot. Bonds12

About bis(2-[bis(2-hydroxyethyl)amino]ethanol);hydroxy(oxo)titanium;propan-2-ol

bis(2-[bis(2-hydroxyethyl)amino]ethanol);hydroxy(oxo)titanium;propan-2-ol (PubChem CID 88709706) has the molecular formula C15H39N2O9Ti and a molecular weight of 439.35 g/mol. Its IUPAC name is bis(2-[bis(2-hydroxyethyl)amino]ethanol);hydroxy(oxo)titanium;propan-2-ol.

Molecular Properties

Compound Namebis(2-[bis(2-hydroxyethyl)amino]ethanol);hydroxy(oxo)titanium;propan-2-ol
PubChem CID88709706
Molecular FormulaC15H39N2O9Ti
Molecular Weight439.35 g/mol
Exact Mass439.21
IUPAC Namebis(2-[bis(2-hydroxyethyl)amino]ethanol);hydroxy(oxo)titanium;propan-2-ol
SMILESCC(C)O.O=[Ti]O.OCCN(CCO)CCO.OCCN(CCO)CCO
InChIInChI=1S/2C6H15NO3.C3H8O.H2O.O.Ti/c2*8-4-1-7(2-5-9)3-6-10;1-3(2)4;;;/h2*8-10H,1-6H2;3-4H,1-2H3;1H2;;/q;;;;;+1/p-1
InChIKeyHMFQYXLQZPBNJN-UHFFFAOYSA-M
XLogP-3.76
TPSA185.39 Ų
H-Bond Donors8
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.35
LogP ≤ 5-3.76
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1010

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Related Compounds

2-[bis(2-hydroxyethyl)amino]ethanol;hydroxy(oxo)titanium;propan-2-ol
CID 87290757
2-[bis(2-hydroxyethyl)amino]ethanol;nickel(2+)
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2-[bis(2-hydroxyethyl)amino]ethanol;2-hydroxypropanoic acid;titanium
CID 87438440
(2S)-1-[2-hydroxyethyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 6950665
2-[bis(2-hydroxyethyl)amino]ethanol;1-(2-hydroxypropylamino)propan-2-ol
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2-[bis(2-hydroxyethyl)amino]ethanol;propane
CID 160839946
copper 2-[bis(2-hydroxyethyl)amino]ethanol
CID 18952570
2-[bis(2-hydroxyethyl)amino]ethanol;silane
CID 173402011
2-[bis(2-hydroxyethyl)amino]ethanol;cobalt
CID 161104033
2-[bis(2-hydroxyethyl)amino]ethanol;iron(3+)
CID 22634755
2-[bis(2-hydroxyethyl)amino]ethanol;methylazanium;chloride
CID 159922681
sodium;azane;2-[bis(2-hydroxyethyl)amino]ethanol;hydroxide;hydrate
CID 173310471

Frequently Asked Questions

What is the IUPAC name of bis(2-[bis(2-hydroxyethyl)amino]ethanol);hydroxy(oxo)titanium;propan-2-ol?
The IUPAC name of bis(2-[bis(2-hydroxyethyl)amino]ethanol);hydroxy(oxo)titanium;propan-2-ol (CID 88709706) is bis(2-[bis(2-hydroxyethyl)amino]ethanol);hydroxy(oxo)titanium;propan-2-ol.
What is the SMILES notation for bis(2-[bis(2-hydroxyethyl)amino]ethanol);hydroxy(oxo)titanium;propan-2-ol?
The canonical SMILES for bis(2-[bis(2-hydroxyethyl)amino]ethanol);hydroxy(oxo)titanium;propan-2-ol is CC(C)O.O=[Ti]O.OCCN(CCO)CCO.OCCN(CCO)CCO.
What is the InChIKey of bis(2-[bis(2-hydroxyethyl)amino]ethanol);hydroxy(oxo)titanium;propan-2-ol?
The InChIKey is HMFQYXLQZPBNJN-UHFFFAOYSA-M. The full InChI is InChI=1S/2C6H15NO3.C3H8O.H2O.O.Ti/c2*8-4-1-7(2-5-9)3-6-10;1-3(2)4;;;/h2*8-10H,1-6H2;3-4H,1-2H3;1H2;;/q;;;;;+1/p-1.
What are the key properties of bis(2-[bis(2-hydroxyethyl)amino]ethanol);hydroxy(oxo)titanium;propan-2-ol?
bis(2-[bis(2-hydroxyethyl)amino]ethanol);hydroxy(oxo)titanium;propan-2-ol has a molecular weight of 439.35 g/mol, XLogP of -3.76, 12 rotatable bonds, 8 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[bis(2-hydroxyethyl)amino]ethanol);hydroxy(oxo)titanium;propan-2-ol is sourced from PubChem (CID 88709706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).