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

C9H24NO6Ti — CID 87290757

IUPAC2-[bis(2-hydroxyethyl)amino]ethanol;hydroxy(oxo)titanium;propan-2-ol
SMILESCC(C)O.O=[Ti]O.OCCN(CCO)CCO
InChIInChI=1S/C6H15NO3.C3H8O.H2O.O.Ti/c8-4-1-7(2-5-9)3-6-10;1-3(2)4;;;/h8-10H,1-6H2;3-4H,1-2H3;1H2;;/q;;;;+1/p-1
InChIKeyWZZDHVAVLFWOMA-UHFFFAOYSA-M
MW290.16 g/mol
LogP-2.03
Rot. Bonds6

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

2-[bis(2-hydroxyethyl)amino]ethanol;hydroxy(oxo)titanium;propan-2-ol (PubChem CID 87290757) has the molecular formula C9H24NO6Ti and a molecular weight of 290.16 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]ethanol;hydroxy(oxo)titanium;propan-2-ol.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]ethanol;hydroxy(oxo)titanium;propan-2-ol
PubChem CID87290757
Molecular FormulaC9H24NO6Ti
Molecular Weight290.16 g/mol
Exact Mass290.11
IUPAC Name2-[bis(2-hydroxyethyl)amino]ethanol;hydroxy(oxo)titanium;propan-2-ol
SMILESCC(C)O.O=[Ti]O.OCCN(CCO)CCO
InChIInChI=1S/C6H15NO3.C3H8O.H2O.O.Ti/c8-4-1-7(2-5-9)3-6-10;1-3(2)4;;;/h8-10H,1-6H2;3-4H,1-2H3;1H2;;/q;;;;+1/p-1
InChIKeyWZZDHVAVLFWOMA-UHFFFAOYSA-M
XLogP-2.03
TPSA121.46 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 5-2.03
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

bis(2-[bis(2-hydroxyethyl)amino]ethanol);hydroxy(oxo)titanium;propan-2-ol
CID 88709706
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 2-[bis(2-hydroxyethyl)amino]ethanol;hydroxy(oxo)titanium;propan-2-ol?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;hydroxy(oxo)titanium;propan-2-ol (CID 87290757) is 2-[bis(2-hydroxyethyl)amino]ethanol;hydroxy(oxo)titanium;propan-2-ol.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]ethanol;hydroxy(oxo)titanium;propan-2-ol?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]ethanol;hydroxy(oxo)titanium;propan-2-ol is CC(C)O.O=[Ti]O.OCCN(CCO)CCO.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]ethanol;hydroxy(oxo)titanium;propan-2-ol?
The InChIKey is WZZDHVAVLFWOMA-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H15NO3.C3H8O.H2O.O.Ti/c8-4-1-7(2-5-9)3-6-10;1-3(2)4;;;/h8-10H,1-6H2;3-4H,1-2H3;1H2;;/q;;;;+1/p-1.
What are the key properties of 2-[bis(2-hydroxyethyl)amino]ethanol;hydroxy(oxo)titanium;propan-2-ol?
2-[bis(2-hydroxyethyl)amino]ethanol;hydroxy(oxo)titanium;propan-2-ol has a molecular weight of 290.16 g/mol, XLogP of -2.03, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]ethanol;hydroxy(oxo)titanium;propan-2-ol is sourced from PubChem (CID 87290757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).