2-ethoxyethyl 2-ethoxybutanoate;prop-2-enoic acid

C13H24O6 — CID 88671887

IUPAC2-ethoxyethyl 2-ethoxybutanoate;prop-2-enoic acid
SMILESC=CC(=O)O.CCOCCOC(=O)C(CC)OCC
InChIInChI=1S/C10H20O4.C3H4O2/c1-4-9(13-6-3)10(11)14-8-7-12-5-2;1-2-3(4)5/h9H,4-8H2,1-3H3;2H,1H2,(H,4,5)
InChIKeyJPCMGLCMGPYUCU-UHFFFAOYSA-N
MW276.33 g/mol
LogP1.64
Rot. Bonds9

About 2-ethoxyethyl 2-ethoxybutanoate;prop-2-enoic acid

2-ethoxyethyl 2-ethoxybutanoate;prop-2-enoic acid (PubChem CID 88671887) has the molecular formula C13H24O6 and a molecular weight of 276.33 g/mol. Its IUPAC name is 2-ethoxyethyl 2-ethoxybutanoate;prop-2-enoic acid.

Molecular Properties

Compound Name2-ethoxyethyl 2-ethoxybutanoate;prop-2-enoic acid
PubChem CID88671887
Molecular FormulaC13H24O6
Molecular Weight276.33 g/mol
Exact Mass276.16
IUPAC Name2-ethoxyethyl 2-ethoxybutanoate;prop-2-enoic acid
SMILESC=CC(=O)O.CCOCCOC(=O)C(CC)OCC
InChIInChI=1S/C10H20O4.C3H4O2/c1-4-9(13-6-3)10(11)14-8-7-12-5-2;1-2-3(4)5/h9H,4-8H2,1-3H3;2H,1H2,(H,4,5)
InChIKeyJPCMGLCMGPYUCU-UHFFFAOYSA-N
XLogP1.64
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-ethoxyethyl 2-ethoxybutanoate
CID 88671888
amino 2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]butanoate
CID 54098191
2-(2-ethoxyethoxy)ethyl prop-2-enoate;2-methylprop-2-enoic acid
CID 87934107
2-ethoxybutanoyl 2-ethoxybutanoate
CID 87083983
2-ethoxyethyl prop-2-enoate;2-methylidenebutanoic acid
CID 175424652
3,3-diethoxyprop-1-ene;prop-2-enoic acid
CID 158513220
2-ethoxyethyl (2R)-2-methylbutanoate
CID 59033497
2-(2-ethoxyethyl)pent-2-enoic acid;2-ethoxyethyl prop-2-enoate
CID 175881234
1,2-diethoxyethane;bis(prop-2-enyl hydrogen carbonate)
CID 87594792
1-ethoxy-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethanol;prop-2-enoic acid
CID 88779964
2-(2-ethoxyethoxy)ethyl prop-2-enoate;pentyl prop-2-enoate
CID 174792741
1,2-diethoxyethane;ethenamine
CID 160675526

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 2-ethoxybutanoate;prop-2-enoic acid?
The IUPAC name of 2-ethoxyethyl 2-ethoxybutanoate;prop-2-enoic acid (CID 88671887) is 2-ethoxyethyl 2-ethoxybutanoate;prop-2-enoic acid.
What is the SMILES notation for 2-ethoxyethyl 2-ethoxybutanoate;prop-2-enoic acid?
The canonical SMILES for 2-ethoxyethyl 2-ethoxybutanoate;prop-2-enoic acid is C=CC(=O)O.CCOCCOC(=O)C(CC)OCC.
What is the InChIKey of 2-ethoxyethyl 2-ethoxybutanoate;prop-2-enoic acid?
The InChIKey is JPCMGLCMGPYUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4.C3H4O2/c1-4-9(13-6-3)10(11)14-8-7-12-5-2;1-2-3(4)5/h9H,4-8H2,1-3H3;2H,1H2,(H,4,5).
What are the key properties of 2-ethoxyethyl 2-ethoxybutanoate;prop-2-enoic acid?
2-ethoxyethyl 2-ethoxybutanoate;prop-2-enoic acid has a molecular weight of 276.33 g/mol, XLogP of 1.64, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 2-ethoxybutanoate;prop-2-enoic acid is sourced from PubChem (CID 88671887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).