2-ethoxyethanol;propanoic acid

C7H16O4 — CID 71354268

IUPAC2-ethoxyethanol;propanoic acid
SMILESCCC(=O)O.CCOCCO
InChIInChI=1S/C4H10O2.C3H6O2/c1-2-6-4-3-5;1-2-3(4)5/h5H,2-4H2,1H3;2H2,1H3,(H,4,5)
InChIKeyOPZOJJICKVTDSR-UHFFFAOYSA-N
MW164.20 g/mol
LogP0.50
Rot. Bonds4

About 2-ethoxyethanol;propanoic acid

2-ethoxyethanol;propanoic acid (PubChem CID 71354268) has the molecular formula C7H16O4 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2-ethoxyethanol;propanoic acid.

Molecular Properties

Compound Name2-ethoxyethanol;propanoic acid
PubChem CID71354268
Molecular FormulaC7H16O4
Molecular Weight164.20 g/mol
Exact Mass164.10
IUPAC Name2-ethoxyethanol;propanoic acid
SMILESCCC(=O)O.CCOCCO
InChIInChI=1S/C4H10O2.C3H6O2/c1-2-6-4-3-5;1-2-3(4)5/h5H,2-4H2,1H3;2H2,1H3,(H,4,5)
InChIKeyOPZOJJICKVTDSR-UHFFFAOYSA-N
XLogP0.50
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxyethoxy)ethanol;propanoic acid;pentahydrofluoride
CID 175224528
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;propanoic acid;1-propoxypropane
CID 87832524
2-ethoxyethanol;neodymium
CID 174490221
2-ethoxyethanol;silane
CID 173283937
2-(2-ethoxyethoxy)ethanol;propan-2-one
CID 158361782
2-ethoxyethanol;3-oxohexanoic acid
CID 88812724
ethoxyethane;2-(2-hydroxyethoxy)ethanol;propan-2-one
CID 146319223
2-ethoxyethanol;sulfuric acid
CID 87749123
2-ethoxyethanol;ethyl acetate
CID 22463789
bis(2-(2-ethoxyethoxy)ethanol);hydrate
CID 87793690
disodium;azanide;2-ethoxyethanol;hydride
CID 173429143
2-(2-ethoxyethoxy)ethanol;methanol
CID 87987109

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethanol;propanoic acid?
The IUPAC name of 2-ethoxyethanol;propanoic acid (CID 71354268) is 2-ethoxyethanol;propanoic acid.
What is the SMILES notation for 2-ethoxyethanol;propanoic acid?
The canonical SMILES for 2-ethoxyethanol;propanoic acid is CCC(=O)O.CCOCCO.
What is the InChIKey of 2-ethoxyethanol;propanoic acid?
The InChIKey is OPZOJJICKVTDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2.C3H6O2/c1-2-6-4-3-5;1-2-3(4)5/h5H,2-4H2,1H3;2H2,1H3,(H,4,5).
What are the key properties of 2-ethoxyethanol;propanoic acid?
2-ethoxyethanol;propanoic acid has a molecular weight of 164.20 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethanol;propanoic acid is sourced from PubChem (CID 71354268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).