ethanol;3-ethoxypropanoate

C7H15O4- — CID 23090651

IUPACethanol;3-ethoxypropanoate
SMILESCCO.CCOCCC(=O)[O-]
InChIInChI=1S/C5H10O3.C2H6O/c1-2-8-4-3-5(6)7;1-2-3/h2-4H2,1H3,(H,6,7);3H,2H2,1H3/p-1
InChIKeyHIUGPDBZOROEBP-UHFFFAOYSA-M
MW163.19 g/mol
LogP-0.84
Rot. Bonds4

About ethanol;3-ethoxypropanoate

ethanol;3-ethoxypropanoate (PubChem CID 23090651) has the molecular formula C7H15O4- and a molecular weight of 163.19 g/mol. Its IUPAC name is ethanol;3-ethoxypropanoate.

Molecular Properties

Compound Nameethanol;3-ethoxypropanoate
PubChem CID23090651
Molecular FormulaC7H15O4-
Molecular Weight163.19 g/mol
Exact Mass163.10
IUPAC Nameethanol;3-ethoxypropanoate
SMILESCCO.CCOCCC(=O)[O-]
InChIInChI=1S/C5H10O3.C2H6O/c1-2-8-4-3-5(6)7;1-2-3/h2-4H2,1H3,(H,6,7);3H,2H2,1H3/p-1
InChIKeyHIUGPDBZOROEBP-UHFFFAOYSA-M
XLogP-0.84
TPSA69.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-ethoxyethoxy)propanoate;tetrapropylazanium
CID 118645065
2-ethoxyethyl-[2-(2-methoxyethoxy)ethyl]-dimethylazanium;3-[2-(2-methoxyethoxy)ethoxy]propanoate
CID 118645100
bis(2-ethoxyethyl)-dimethylazanium;3-[2-(2-methoxyethoxy)ethoxy]propanoate
CID 118645288
disodium;butanedioate;ethanol
CID 86659235
diethyl-(2-methoxyethyl)-methylazanium;3-(2-ethoxyethoxy)propanoate
CID 118645363
sodium;ethoxyethane;2-hydroxyacetate
CID 87814066
3-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 155128339
4-[2-(2-ethoxyethoxy)ethoxy]butan-2-one
CID 90132734
7-ethoxyheptane-2,4,5-trione
CID 19107179
2-ethoxyethyl(triethyl)azanium;pentanoate
CID 87070975
dilithium;ethoxyethane;carbonate
CID 173429420
3-(2-ethoxyethoxy)propanoate;1-(2-ethoxyethyl)-3-ethylimidazol-1-ium
CID 118645263

Frequently Asked Questions

What is the IUPAC name of ethanol;3-ethoxypropanoate?
The IUPAC name of ethanol;3-ethoxypropanoate (CID 23090651) is ethanol;3-ethoxypropanoate.
What is the SMILES notation for ethanol;3-ethoxypropanoate?
The canonical SMILES for ethanol;3-ethoxypropanoate is CCO.CCOCCC(=O)[O-].
What is the InChIKey of ethanol;3-ethoxypropanoate?
The InChIKey is HIUGPDBZOROEBP-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H10O3.C2H6O/c1-2-8-4-3-5(6)7;1-2-3/h2-4H2,1H3,(H,6,7);3H,2H2,1H3/p-1.
What are the key properties of ethanol;3-ethoxypropanoate?
ethanol;3-ethoxypropanoate has a molecular weight of 163.19 g/mol, XLogP of -0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;3-ethoxypropanoate is sourced from PubChem (CID 23090651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).