2-ethoxyethyl prop-2-enoate;2-methylidenebutanoic acid

C12H20O5 — CID 175424652

IUPAC2-ethoxyethyl prop-2-enoate;2-methylidenebutanoic acid
SMILESC=C(CC)C(=O)O.C=CC(=O)OCCOCC
InChIInChI=1S/C7H12O3.C5H8O2/c1-3-7(8)10-6-5-9-4-2;1-3-4(2)5(6)7/h3H,1,4-6H2,2H3;2-3H2,1H3,(H,6,7)
InChIKeyIOAVEBYEJYMPFB-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.79
Rot. Bonds7

About 2-ethoxyethyl prop-2-enoate;2-methylidenebutanoic acid

2-ethoxyethyl prop-2-enoate;2-methylidenebutanoic acid (PubChem CID 175424652) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-ethoxyethyl prop-2-enoate;2-methylidenebutanoic acid.

Molecular Properties

Compound Name2-ethoxyethyl prop-2-enoate;2-methylidenebutanoic acid
PubChem CID175424652
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Name2-ethoxyethyl prop-2-enoate;2-methylidenebutanoic acid
SMILESC=C(CC)C(=O)O.C=CC(=O)OCCOCC
InChIInChI=1S/C7H12O3.C5H8O2/c1-3-7(8)10-6-5-9-4-2;1-3-4(2)5(6)7/h3H,1,4-6H2,2H3;2-3H2,1H3,(H,6,7)
InChIKeyIOAVEBYEJYMPFB-UHFFFAOYSA-N
XLogP1.79
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-ethoxyethoxy)ethyl prop-2-enoate;2-methylprop-2-enoic acid
CID 87934107
4-(2-ethoxyethoxy)-2-methylidenebutanoic acid;ethyl prop-2-enoate
CID 161209562
2-prop-2-enoyloxyethyl 2-methylidenebutanoate
CID 57033268
2-(2-ethoxyethyl)pent-2-enoic acid;2-ethoxyethyl prop-2-enoate
CID 175881234
2-(2-ethoxyethoxy)ethyl prop-2-enoate;pentyl prop-2-enoate
CID 174792741
2-[2-[2-[2-[2-[2-[2,2-bis[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxymethyl]butoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 173016029
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(4-ethoxybutoxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butyl prop-2-enoate
CID 22918013
6-ethoxyhexyl prop-2-enoate
CID 88877184
2-[2-(2-prop-1-en-2-yloxyethoxy)ethoxy]ethyl prop-2-enoate
CID 141287577
ethoxyethane;2-hydroxyethyl prop-2-enoate
CID 87338158
12-prop-2-enoyloxydodecyl 2-methylidenebutanoate
CID 129103082

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl prop-2-enoate;2-methylidenebutanoic acid?
The IUPAC name of 2-ethoxyethyl prop-2-enoate;2-methylidenebutanoic acid (CID 175424652) is 2-ethoxyethyl prop-2-enoate;2-methylidenebutanoic acid.
What is the SMILES notation for 2-ethoxyethyl prop-2-enoate;2-methylidenebutanoic acid?
The canonical SMILES for 2-ethoxyethyl prop-2-enoate;2-methylidenebutanoic acid is C=C(CC)C(=O)O.C=CC(=O)OCCOCC.
What is the InChIKey of 2-ethoxyethyl prop-2-enoate;2-methylidenebutanoic acid?
The InChIKey is IOAVEBYEJYMPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3.C5H8O2/c1-3-7(8)10-6-5-9-4-2;1-3-4(2)5(6)7/h3H,1,4-6H2,2H3;2-3H2,1H3,(H,6,7).
What are the key properties of 2-ethoxyethyl prop-2-enoate;2-methylidenebutanoic acid?
2-ethoxyethyl prop-2-enoate;2-methylidenebutanoic acid has a molecular weight of 244.29 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl prop-2-enoate;2-methylidenebutanoic acid is sourced from PubChem (CID 175424652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).