2-[bis(2-hydroxyethyl)amino]ethanol;2,6-di(propan-2-yl)phenol;titanium

C18H33NO4Ti — CID 11210933

IUPAC2-[bis(2-hydroxyethyl)amino]ethanol;2,6-di(propan-2-yl)phenol;titanium
SMILESCC(C)c1cccc(C(C)C)c1O.OCCN(CCO)CCO.[Ti]
InChIInChI=1S/C12H18O.C6H15NO3.Ti/c1-8(2)10-6-5-7-11(9(3)4)12(10)13;8-4-1-7(2-5-9)3-6-10;/h5-9,13H,1-4H3;8-10H,1-6H2;
InChIKeySHQWTZLEQYNAMO-UHFFFAOYSA-N
MW375.33 g/mol
LogP1.90
Rot. Bonds8

About 2-[bis(2-hydroxyethyl)amino]ethanol;2,6-di(propan-2-yl)phenol;titanium

2-[bis(2-hydroxyethyl)amino]ethanol;2,6-di(propan-2-yl)phenol;titanium (PubChem CID 11210933) has the molecular formula C18H33NO4Ti and a molecular weight of 375.33 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]ethanol;2,6-di(propan-2-yl)phenol;titanium.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]ethanol;2,6-di(propan-2-yl)phenol;titanium
PubChem CID11210933
Molecular FormulaC18H33NO4Ti
Molecular Weight375.33 g/mol
Exact Mass375.19
IUPAC Name2-[bis(2-hydroxyethyl)amino]ethanol;2,6-di(propan-2-yl)phenol;titanium
SMILESCC(C)c1cccc(C(C)C)c1O.OCCN(CCO)CCO.[Ti]
InChIInChI=1S/C12H18O.C6H15NO3.Ti/c1-8(2)10-6-5-7-11(9(3)4)12(10)13;8-4-1-7(2-5-9)3-6-10;/h5-9,13H,1-4H3;8-10H,1-6H2;
InChIKeySHQWTZLEQYNAMO-UHFFFAOYSA-N
XLogP1.90
TPSA84.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 51.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

bis(2,6-di(propan-2-yl)phenol);titanium;dihydrochloride
CID 87638377
2,6-di(propan-2-yl)phenol;silver
CID 174803720
bis(2,6-di(propan-2-yl)phenol);titanium(2+);dichloride
CID 87638376
dimethylalumane;tris(2,6-di(propan-2-yl)phenol)
CID 173121880
tris(cyclopentane);tris(2,6-di(propan-2-yl)phenol);sulfanide;titanium;titanium(3+)
CID 23228869
2-[(1S)-1,2-diaminoethyl]-6-propan-2-ylphenol
CID 55262533
2-(1-methylsulfanylethyl)-6-propan-2-ylphenol
CID 170547306
2-(N-methyl-2-propan-2-ylanilino)ethanol
CID 22718340
2-bromo-6-propan-2-ylphenol
CID 14663965
methyl 2-(2-hydroxy-3-propan-2-ylphenyl)propanoate
CID 163214418
2,6-di(propan-2-yl)benzoic acid;2,6-di(propan-2-yl)phenol
CID 161375553
2-[(1R)-1-cyclobutylethyl]-6-propan-2-ylphenol;ethane
CID 144742888

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;2,6-di(propan-2-yl)phenol;titanium?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]ethanol;2,6-di(propan-2-yl)phenol;titanium (CID 11210933) is 2-[bis(2-hydroxyethyl)amino]ethanol;2,6-di(propan-2-yl)phenol;titanium.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]ethanol;2,6-di(propan-2-yl)phenol;titanium?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]ethanol;2,6-di(propan-2-yl)phenol;titanium is CC(C)c1cccc(C(C)C)c1O.OCCN(CCO)CCO.[Ti].
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]ethanol;2,6-di(propan-2-yl)phenol;titanium?
The InChIKey is SHQWTZLEQYNAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O.C6H15NO3.Ti/c1-8(2)10-6-5-7-11(9(3)4)12(10)13;8-4-1-7(2-5-9)3-6-10;/h5-9,13H,1-4H3;8-10H,1-6H2;.
What are the key properties of 2-[bis(2-hydroxyethyl)amino]ethanol;2,6-di(propan-2-yl)phenol;titanium?
2-[bis(2-hydroxyethyl)amino]ethanol;2,6-di(propan-2-yl)phenol;titanium has a molecular weight of 375.33 g/mol, XLogP of 1.90, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]ethanol;2,6-di(propan-2-yl)phenol;titanium is sourced from PubChem (CID 11210933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).