2-ethoxybutanoate

C6H11O3- — CID 21321797

IUPAC2-ethoxybutanoate
SMILESCCOC(CC)C(=O)[O-]
InChIInChI=1S/C6H12O3/c1-3-5(6(7)8)9-4-2/h5H,3-4H2,1-2H3,(H,7,8)/p-1
InChIKeyJEPGPKGGSYXGKV-UHFFFAOYSA-M
MW131.15 g/mol
LogP-0.45
Rot. Bonds4

About 2-ethoxybutanoate

2-ethoxybutanoate (PubChem CID 21321797) has the molecular formula C6H11O3- and a molecular weight of 131.15 g/mol. Its IUPAC name is 2-ethoxybutanoate.

Molecular Properties

Compound Name2-ethoxybutanoate
PubChem CID21321797
Molecular FormulaC6H11O3-
Molecular Weight131.15 g/mol
Exact Mass131.07
IUPAC Name2-ethoxybutanoate
SMILESCCOC(CC)C(=O)[O-]
InChIInChI=1S/C6H12O3/c1-3-5(6(7)8)9-4-2/h5H,3-4H2,1-2H3,(H,7,8)/p-1
InChIKeyJEPGPKGGSYXGKV-UHFFFAOYSA-M
XLogP-0.45
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 5-0.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

barium(2+);2-(carboxylatomethoxy)butanoate
CID 87916357
cerium(3+);tris(2-ethoxyhexanoate)
CID 22559432
2,2-diethoxyacetate
CID 22600241
2-ethoxybutanoyl 2-ethoxybutanoate
CID 87083983
potassium 2,2-diethoxyacetate
CID 87278402
(4R)-4-ethoxy-2-methylhexan-3-one
CID 176614582
magnesium 2-[carboxylato(ethoxy)methoxy]-3-hydroxypropanoate
CID 158356725
sodium 2-ethoxypropanoate
CID 141029681
diazanium;2-butyl-5-ethoxyhexanedioate
CID 156787256
(4R)-2-ethoxy-4-methylhexanoic acid
CID 142224466
(2R)-2-ethoxybutanedioic acid
CID 101245963
2-ethoxy-3-methylbutanoate
CID 23183641

Frequently Asked Questions

What is the IUPAC name of 2-ethoxybutanoate?
The IUPAC name of 2-ethoxybutanoate (CID 21321797) is 2-ethoxybutanoate.
What is the SMILES notation for 2-ethoxybutanoate?
The canonical SMILES for 2-ethoxybutanoate is CCOC(CC)C(=O)[O-].
What is the InChIKey of 2-ethoxybutanoate?
The InChIKey is JEPGPKGGSYXGKV-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H12O3/c1-3-5(6(7)8)9-4-2/h5H,3-4H2,1-2H3,(H,7,8)/p-1.
What are the key properties of 2-ethoxybutanoate?
2-ethoxybutanoate has a molecular weight of 131.15 g/mol, XLogP of -0.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxybutanoate is sourced from PubChem (CID 21321797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).