2-(2-ethoxyethoxy)ethyl prop-2-enoate;2-methylprop-2-enoic acid

C13H22O6 — CID 87934107

IUPAC2-(2-ethoxyethoxy)ethyl prop-2-enoate;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.C=CC(=O)OCCOCCOCC
InChIInChI=1S/C9H16O4.C4H6O2/c1-3-9(10)13-8-7-12-6-5-11-4-2;1-3(2)4(5)6/h3H,1,4-8H2,2H3;1H2,2H3,(H,5,6)
InChIKeyMJBRODVBELHSCY-UHFFFAOYSA-N
MW274.31 g/mol
LogP1.42
Rot. Bonds9

About 2-(2-ethoxyethoxy)ethyl prop-2-enoate;2-methylprop-2-enoic acid

2-(2-ethoxyethoxy)ethyl prop-2-enoate;2-methylprop-2-enoic acid (PubChem CID 87934107) has the molecular formula C13H22O6 and a molecular weight of 274.31 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)ethyl prop-2-enoate;2-methylprop-2-enoic acid.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)ethyl prop-2-enoate;2-methylprop-2-enoic acid
PubChem CID87934107
Molecular FormulaC13H22O6
Molecular Weight274.31 g/mol
Exact Mass274.14
IUPAC Name2-(2-ethoxyethoxy)ethyl prop-2-enoate;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.C=CC(=O)OCCOCCOCC
InChIInChI=1S/C9H16O4.C4H6O2/c1-3-9(10)13-8-7-12-6-5-11-4-2;1-3(2)4(5)6/h3H,1,4-8H2,2H3;1H2,2H3,(H,5,6)
InChIKeyMJBRODVBELHSCY-UHFFFAOYSA-N
XLogP1.42
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 51.42
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 prop-2-enoate;2-methylidenebutanoic acid
CID 175424652
2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
CID 159354100
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;2-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]ethyl prop-2-enoate
CID 160886159
bis(2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl 2-methylprop-2-enoate);bis(2-(2-prop-2-enoyloxyethoxy)ethyl prop-2-enoate)
CID 160660181
4-(2-ethoxyethoxy)-2-methylidenebutanoic acid;ethyl prop-2-enoate
CID 161209562
2-[2-(2-prop-1-en-2-yloxyethoxy)ethoxy]ethyl prop-2-enoate
CID 141287577
2-(2-ethoxyethoxy)ethyl prop-2-enoate;pentyl prop-2-enoate
CID 174792741
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
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-(2-ethoxyethyl)pent-2-enoic acid;2-ethoxyethyl prop-2-enoate
CID 175881234
2-butoxyethyl 2-methylprop-2-enoate;2-butoxyethyl prop-2-enoate;3-(2-ethoxyethoxycarbonyl)but-3-enoic acid
CID 162138519
2-(2-methoxyethoxy)ethyl 2-methylprop-2-enoate;2-(2-methoxyethoxy)ethyl prop-2-enoate
CID 87967520

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)ethyl prop-2-enoate;2-methylprop-2-enoic acid?
The IUPAC name of 2-(2-ethoxyethoxy)ethyl prop-2-enoate;2-methylprop-2-enoic acid (CID 87934107) is 2-(2-ethoxyethoxy)ethyl prop-2-enoate;2-methylprop-2-enoic acid.
What is the SMILES notation for 2-(2-ethoxyethoxy)ethyl prop-2-enoate;2-methylprop-2-enoic acid?
The canonical SMILES for 2-(2-ethoxyethoxy)ethyl prop-2-enoate;2-methylprop-2-enoic acid is C=C(C)C(=O)O.C=CC(=O)OCCOCCOCC.
What is the InChIKey of 2-(2-ethoxyethoxy)ethyl prop-2-enoate;2-methylprop-2-enoic acid?
The InChIKey is MJBRODVBELHSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4.C4H6O2/c1-3-9(10)13-8-7-12-6-5-11-4-2;1-3(2)4(5)6/h3H,1,4-8H2,2H3;1H2,2H3,(H,5,6).
What are the key properties of 2-(2-ethoxyethoxy)ethyl prop-2-enoate;2-methylprop-2-enoic acid?
2-(2-ethoxyethoxy)ethyl prop-2-enoate;2-methylprop-2-enoic acid has a molecular weight of 274.31 g/mol, XLogP of 1.42, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)ethyl prop-2-enoate;2-methylprop-2-enoic acid is sourced from PubChem (CID 87934107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).