4-(2-ethoxyethoxy)-2-methylidenebutanoic acid;ethyl prop-2-enoate

C14H24O6 — CID 161209562

IUPAC4-(2-ethoxyethoxy)-2-methylidenebutanoic acid;ethyl prop-2-enoate
SMILESC=C(CCOCCOCC)C(=O)O.C=CC(=O)OCC
InChIInChI=1S/C9H16O4.C5H8O2/c1-3-12-6-7-13-5-4-8(2)9(10)11;1-3-5(6)7-4-2/h2-7H2,1H3,(H,10,11);3H,1,4H2,2H3
InChIKeyUWBBLNMOZQJMLY-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.81
Rot. Bonds10

About 4-(2-ethoxyethoxy)-2-methylidenebutanoic acid;ethyl prop-2-enoate

4-(2-ethoxyethoxy)-2-methylidenebutanoic acid;ethyl prop-2-enoate (PubChem CID 161209562) has the molecular formula C14H24O6 and a molecular weight of 288.34 g/mol. Its IUPAC name is 4-(2-ethoxyethoxy)-2-methylidenebutanoic acid;ethyl prop-2-enoate.

Molecular Properties

Compound Name4-(2-ethoxyethoxy)-2-methylidenebutanoic acid;ethyl prop-2-enoate
PubChem CID161209562
Molecular FormulaC14H24O6
Molecular Weight288.34 g/mol
Exact Mass288.16
IUPAC Name4-(2-ethoxyethoxy)-2-methylidenebutanoic acid;ethyl prop-2-enoate
SMILESC=C(CCOCCOCC)C(=O)O.C=CC(=O)OCC
InChIInChI=1S/C9H16O4.C5H8O2/c1-3-12-6-7-13-5-4-8(2)9(10)11;1-3-5(6)7-4-2/h2-7H2,1H3,(H,10,11);3H,1,4H2,2H3
InChIKeyUWBBLNMOZQJMLY-UHFFFAOYSA-N
XLogP1.81
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.81
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

4-(2-ethoxyethoxy)-2-methylidenebutanoic acid
CID 22662596
2-ethoxyethyl prop-2-enoate;2-methylidenebutanoic acid
CID 175424652
2-(2-ethoxyethoxy)ethyl prop-2-enoate;2-methylprop-2-enoic acid
CID 87934107
2-(2-ethoxyethyl)pent-2-enoic acid;2-ethoxyethyl prop-2-enoate
CID 175881234
2-ethoxyprop-2-enoic acid;ethyl prop-2-enoate
CID 174581308
acetic acid;ethyl prop-2-enoate;2-methylprop-1-ene
CID 174936944
ethenamine;ethyl prop-2-enoate
CID 22022699
ethyl prop-2-enoate;hydrochloride
CID 87359594
ethyl prop-2-enoate;hydroiodide
CID 159738872
ethyl prop-2-enoate;sulfane
CID 157093783
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
5-(2-ethoxyethoxy)-2-methylidenepentanoic acid;5-(2-methoxyethoxy)-2-methylidenepentanoic acid
CID 87657263

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethoxy)-2-methylidenebutanoic acid;ethyl prop-2-enoate?
The IUPAC name of 4-(2-ethoxyethoxy)-2-methylidenebutanoic acid;ethyl prop-2-enoate (CID 161209562) is 4-(2-ethoxyethoxy)-2-methylidenebutanoic acid;ethyl prop-2-enoate.
What is the SMILES notation for 4-(2-ethoxyethoxy)-2-methylidenebutanoic acid;ethyl prop-2-enoate?
The canonical SMILES for 4-(2-ethoxyethoxy)-2-methylidenebutanoic acid;ethyl prop-2-enoate is C=C(CCOCCOCC)C(=O)O.C=CC(=O)OCC.
What is the InChIKey of 4-(2-ethoxyethoxy)-2-methylidenebutanoic acid;ethyl prop-2-enoate?
The InChIKey is UWBBLNMOZQJMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4.C5H8O2/c1-3-12-6-7-13-5-4-8(2)9(10)11;1-3-5(6)7-4-2/h2-7H2,1H3,(H,10,11);3H,1,4H2,2H3.
What are the key properties of 4-(2-ethoxyethoxy)-2-methylidenebutanoic acid;ethyl prop-2-enoate?
4-(2-ethoxyethoxy)-2-methylidenebutanoic acid;ethyl prop-2-enoate has a molecular weight of 288.34 g/mol, XLogP of 1.81, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethoxy)-2-methylidenebutanoic acid;ethyl prop-2-enoate is sourced from PubChem (CID 161209562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).