2-(dimethylamino)ethanol;ethanol;zirconium

C10H29NO4Zr — CID 154069577

IUPAC2-(dimethylamino)ethanol;ethanol;zirconium
SMILESCCO.CCO.CCO.CN(C)CCO.[Zr]
InChIInChI=1S/C4H11NO.3C2H6O.Zr/c1-5(2)3-4-6;3*1-2-3;/h6H,3-4H2,1-2H3;3*3H,2H2,1H3;
InChIKeyDRZUPTCUGFXNFT-UHFFFAOYSA-N
MW318.57 g/mol
LogP-0.47
Rot. Bonds2

About 2-(dimethylamino)ethanol;ethanol;zirconium

2-(dimethylamino)ethanol;ethanol;zirconium (PubChem CID 154069577) has the molecular formula C10H29NO4Zr and a molecular weight of 318.57 g/mol. Its IUPAC name is 2-(dimethylamino)ethanol;ethanol;zirconium.

Molecular Properties

Compound Name2-(dimethylamino)ethanol;ethanol;zirconium
PubChem CID154069577
Molecular FormulaC10H29NO4Zr
Molecular Weight318.57 g/mol
Exact Mass317.11
IUPAC Name2-(dimethylamino)ethanol;ethanol;zirconium
SMILESCCO.CCO.CCO.CN(C)CCO.[Zr]
InChIInChI=1S/C4H11NO.3C2H6O.Zr/c1-5(2)3-4-6;3*1-2-3;/h6H,3-4H2,1-2H3;3*3H,2H2,1H3;
InChIKeyDRZUPTCUGFXNFT-UHFFFAOYSA-N
XLogP-0.47
TPSA84.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.57
LogP ≤ 5-0.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 161066727
copper;bis(2-(dimethylamino)ethanol)
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2-(dimethylamino)ethanol;propane-1,2,3-triol
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2-[2-hydroxyethyl(methyl)amino]ethanol;propane
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CID 171562694
tetrakis(copper(1+));tetrakis(2-(dimethylamino)ethanol);tetrakis(2,2,2-trifluoroethane-1,1-diol)
CID 6397972
2-(dimethylamino)ethanol;hexanedioic acid
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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethanol;ethanol;zirconium?
The IUPAC name of 2-(dimethylamino)ethanol;ethanol;zirconium (CID 154069577) is 2-(dimethylamino)ethanol;ethanol;zirconium.
What is the SMILES notation for 2-(dimethylamino)ethanol;ethanol;zirconium?
The canonical SMILES for 2-(dimethylamino)ethanol;ethanol;zirconium is CCO.CCO.CCO.CN(C)CCO.[Zr].
What is the InChIKey of 2-(dimethylamino)ethanol;ethanol;zirconium?
The InChIKey is DRZUPTCUGFXNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO.3C2H6O.Zr/c1-5(2)3-4-6;3*1-2-3;/h6H,3-4H2,1-2H3;3*3H,2H2,1H3;.
What are the key properties of 2-(dimethylamino)ethanol;ethanol;zirconium?
2-(dimethylamino)ethanol;ethanol;zirconium has a molecular weight of 318.57 g/mol, XLogP of -0.47, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethanol;ethanol;zirconium is sourced from PubChem (CID 154069577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).