(2-ethoxy-2-oxoethyl)-heptylazanium hydroxide

C11H25NO3 — CID 19611769

IUPAC(2-ethoxy-2-oxoethyl)-heptylazanium hydroxide
SMILESCCCCCCC[NH2+]CC(=O)OCC.[OH-]
InChIInChI=1S/C11H23NO2.H2O/c1-3-5-6-7-8-9-12-10-11(13)14-4-2;/h12H,3-10H2,1-2H3;1H2
InChIKeyWOHWWZVCGRGQIW-UHFFFAOYSA-N
MW219.32 g/mol
LogP0.91
Rot. Bonds9

About (2-ethoxy-2-oxoethyl)-heptylazanium hydroxide

(2-ethoxy-2-oxoethyl)-heptylazanium hydroxide (PubChem CID 19611769) has the molecular formula C11H25NO3 and a molecular weight of 219.32 g/mol. Its IUPAC name is (2-ethoxy-2-oxoethyl)-heptylazanium hydroxide.

Molecular Properties

Compound Name(2-ethoxy-2-oxoethyl)-heptylazanium hydroxide
PubChem CID19611769
Molecular FormulaC11H25NO3
Molecular Weight219.32 g/mol
Exact Mass219.18
IUPAC Name(2-ethoxy-2-oxoethyl)-heptylazanium hydroxide
SMILESCCCCCCC[NH2+]CC(=O)OCC.[OH-]
InChIInChI=1S/C11H23NO2.H2O/c1-3-5-6-7-8-9-12-10-11(13)14-4-2;/h12H,3-10H2,1-2H3;1H2
InChIKeyWOHWWZVCGRGQIW-UHFFFAOYSA-N
XLogP0.91
TPSA72.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.32
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl hexanoate;nickel(2+)
CID 162067155
pentakis(ethyl octanoate);hexane
CID 173194775
ethyl tetradecanoate
CID 89052756
CID 87572227
CID 87572227
ethyl undecanoate
CID 12327
ethyl decanoate;methanol
CID 161391102
ethyl 3-hydroxypropanoate;heptane
CID 18415145
sodium;ethyl octadecanoate;hydride
CID 174731148
ethyl 3-butylnonanoate
CID 131636821
ethyl hexanoate;tungsten
CID 175314088
ethyl hexanoate;gadolinium
CID 174444534
ethyl hexanoate;gallane
CID 174708288

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-2-oxoethyl)-heptylazanium hydroxide?
The IUPAC name of (2-ethoxy-2-oxoethyl)-heptylazanium hydroxide (CID 19611769) is (2-ethoxy-2-oxoethyl)-heptylazanium hydroxide.
What is the SMILES notation for (2-ethoxy-2-oxoethyl)-heptylazanium hydroxide?
The canonical SMILES for (2-ethoxy-2-oxoethyl)-heptylazanium hydroxide is CCCCCCC[NH2+]CC(=O)OCC.[OH-].
What is the InChIKey of (2-ethoxy-2-oxoethyl)-heptylazanium hydroxide?
The InChIKey is WOHWWZVCGRGQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2.H2O/c1-3-5-6-7-8-9-12-10-11(13)14-4-2;/h12H,3-10H2,1-2H3;1H2.
What are the key properties of (2-ethoxy-2-oxoethyl)-heptylazanium hydroxide?
(2-ethoxy-2-oxoethyl)-heptylazanium hydroxide has a molecular weight of 219.32 g/mol, XLogP of 0.91, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-2-oxoethyl)-heptylazanium hydroxide is sourced from PubChem (CID 19611769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).