2-ethoxybutanoyl 2-ethoxybutanoate

C12H22O5 — CID 87083983

IUPAC2-ethoxybutanoyl 2-ethoxybutanoate
SMILESCCOC(CC)C(=O)OC(=O)C(CC)OCC
InChIInChI=1S/C12H22O5/c1-5-9(15-7-3)11(13)17-12(14)10(6-2)16-8-4/h9-10H,5-8H2,1-4H3
InChIKeyFQYANJBREYGSJB-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.69
Rot. Bonds8

About 2-ethoxybutanoyl 2-ethoxybutanoate

2-ethoxybutanoyl 2-ethoxybutanoate (PubChem CID 87083983) has the molecular formula C12H22O5 and a molecular weight of 246.30 g/mol. Its IUPAC name is 2-ethoxybutanoyl 2-ethoxybutanoate.

Molecular Properties

Compound Name2-ethoxybutanoyl 2-ethoxybutanoate
PubChem CID87083983
Molecular FormulaC12H22O5
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC Name2-ethoxybutanoyl 2-ethoxybutanoate
SMILESCCOC(CC)C(=O)OC(=O)C(CC)OCC
InChIInChI=1S/C12H22O5/c1-5-9(15-7-3)11(13)17-12(14)10(6-2)16-8-4/h9-10H,5-8H2,1-4H3
InChIKeyFQYANJBREYGSJB-UHFFFAOYSA-N
XLogP1.69
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-ethoxyethyl 2-ethoxybutanoate
CID 88671888
2-ethoxybutanoate
CID 21321797
(4R)-4-ethoxy-2-methylhexan-3-one
CID 176614582
ethyl 2-methoxybutanoate
CID 59767959
(4R)-2-ethoxy-4-methylhexanoic acid
CID 142224466
2-ethoxyethyl 2-ethoxybutanoate;prop-2-enoic acid
CID 88671887
amino 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]butanoate
CID 54098191
3-ethoxy-1-propoxypentan-2-one
CID 116707576
2-ethoxy-2-methoxyacetamide
CID 54503538
ethyl 2-(3,3-dimethylbutoxy)butanoate
CID 66232205
ethyl 2-(3-methoxypropoxy)butanoate
CID 64661459
ethyl 2-(2,3-dihydroxypropoxy)butanoate
CID 174629792

Frequently Asked Questions

What is the IUPAC name of 2-ethoxybutanoyl 2-ethoxybutanoate?
The IUPAC name of 2-ethoxybutanoyl 2-ethoxybutanoate (CID 87083983) is 2-ethoxybutanoyl 2-ethoxybutanoate.
What is the SMILES notation for 2-ethoxybutanoyl 2-ethoxybutanoate?
The canonical SMILES for 2-ethoxybutanoyl 2-ethoxybutanoate is CCOC(CC)C(=O)OC(=O)C(CC)OCC.
What is the InChIKey of 2-ethoxybutanoyl 2-ethoxybutanoate?
The InChIKey is FQYANJBREYGSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O5/c1-5-9(15-7-3)11(13)17-12(14)10(6-2)16-8-4/h9-10H,5-8H2,1-4H3.
What are the key properties of 2-ethoxybutanoyl 2-ethoxybutanoate?
2-ethoxybutanoyl 2-ethoxybutanoate has a molecular weight of 246.30 g/mol, XLogP of 1.69, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxybutanoyl 2-ethoxybutanoate is sourced from PubChem (CID 87083983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).