1-ethoxyethyl 3-ethoxy-2-methylidenebutanoate

C11H20O4 — CID 19772554

IUPAC1-ethoxyethyl 3-ethoxy-2-methylidenebutanoate
SMILESC=C(C(=O)OC(C)OCC)C(C)OCC
InChIInChI=1S/C11H20O4/c1-6-13-9(4)8(3)11(12)15-10(5)14-7-2/h9-10H,3,6-7H2,1-2,4-5H3
InChIKeyJNRKYDPTTMZWHU-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.89
Rot. Bonds7

About 1-ethoxyethyl 3-ethoxy-2-methylidenebutanoate

1-ethoxyethyl 3-ethoxy-2-methylidenebutanoate (PubChem CID 19772554) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-ethoxyethyl 3-ethoxy-2-methylidenebutanoate.

Molecular Properties

Compound Name1-ethoxyethyl 3-ethoxy-2-methylidenebutanoate
PubChem CID19772554
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name1-ethoxyethyl 3-ethoxy-2-methylidenebutanoate
SMILESC=C(C(=O)OC(C)OCC)C(C)OCC
InChIInChI=1S/C11H20O4/c1-6-13-9(4)8(3)11(12)15-10(5)14-7-2/h9-10H,3,6-7H2,1-2,4-5H3
InChIKeyJNRKYDPTTMZWHU-UHFFFAOYSA-N
XLogP1.89
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methylpropyl (3S)-3-hydroperoxy-2-methylidenebutanoate
CID 163063699
Methyl 3-acetoxy-2-methylenebutyrate
CID 5102926
(2R,6R)-2,6-diethyl-5-methylidene-1,3-dioxan-4-one
CID 11041140
2,6-Dimethyl-5-methylene-1,3-dioxan-4-one
CID 14660894
Ethyl-2-[1-((2-tetrahydrofuranyl)peroxy)ethyl]propenoate
CID 10242942
(2R,6R)-2,6-dimethyl-5-methylidene-1,3-dioxan-4-one
CID 10909670
Butanoic acid, 3-(acetyloxy)-2-methylene-, ethyl ester
CID 11063122
Ethyl 3-tert-butylperoxy-2-methylidenebutanoate
CID 14979661
2,2-Dimethyl-1,3-dioxolane-4-methyl methacrylate
CID 69535483
Butyl 2-[(2-methylpropan-2-yl)oxycarbonyloxymethyl]prop-2-enoate
CID 101777828
Methoxymethyl 2,2-difluoro-3-(2-methylprop-2-enoyloxy)butanoate
CID 58241632
[(2R,4S)-2-(acetyloxymethyl)-5-methylidene-6-oxo-1,3-dioxan-4-yl]methyl acetate
CID 10956235

Frequently Asked Questions

What is the IUPAC name of 1-ethoxyethyl 3-ethoxy-2-methylidenebutanoate?
The IUPAC name of 1-ethoxyethyl 3-ethoxy-2-methylidenebutanoate (CID 19772554) is 1-ethoxyethyl 3-ethoxy-2-methylidenebutanoate.
What is the SMILES notation for 1-ethoxyethyl 3-ethoxy-2-methylidenebutanoate?
The canonical SMILES for 1-ethoxyethyl 3-ethoxy-2-methylidenebutanoate is C=C(C(=O)OC(C)OCC)C(C)OCC.
What is the InChIKey of 1-ethoxyethyl 3-ethoxy-2-methylidenebutanoate?
The InChIKey is JNRKYDPTTMZWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-6-13-9(4)8(3)11(12)15-10(5)14-7-2/h9-10H,3,6-7H2,1-2,4-5H3.
What are the key properties of 1-ethoxyethyl 3-ethoxy-2-methylidenebutanoate?
1-ethoxyethyl 3-ethoxy-2-methylidenebutanoate has a molecular weight of 216.28 g/mol, XLogP of 1.89, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyethyl 3-ethoxy-2-methylidenebutanoate is sourced from PubChem (CID 19772554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).