2-[2-(2-prop-2-enoyloxyethoxy)ethyl]hexanedioic acid

C13H20O7 — CID 172811544

IUPAC2-[2-(2-prop-2-enoyloxyethoxy)ethyl]hexanedioic acid
SMILESC=CC(=O)OCCOCCC(CCCC(=O)O)C(=O)O
InChIInChI=1S/C13H20O7/c1-2-12(16)20-9-8-19-7-6-10(13(17)18)4-3-5-11(14)15/h2,10H,1,3-9H2,(H,14,15)(H,17,18)
InChIKeySFZKJSRMNOWOPS-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.08
Rot. Bonds12

About 2-[2-(2-prop-2-enoyloxyethoxy)ethyl]hexanedioic acid

2-[2-(2-prop-2-enoyloxyethoxy)ethyl]hexanedioic acid (PubChem CID 172811544) has the molecular formula C13H20O7 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-[2-(2-prop-2-enoyloxyethoxy)ethyl]hexanedioic acid.

Molecular Properties

Compound Name2-[2-(2-prop-2-enoyloxyethoxy)ethyl]hexanedioic acid
PubChem CID172811544
Molecular FormulaC13H20O7
Molecular Weight288.30 g/mol
Exact Mass288.12
IUPAC Name2-[2-(2-prop-2-enoyloxyethoxy)ethyl]hexanedioic acid
SMILESC=CC(=O)OCCOCCC(CCCC(=O)O)C(=O)O
InChIInChI=1S/C13H20O7/c1-2-12(16)20-9-8-19-7-6-10(13(17)18)4-3-5-11(14)15/h2,10H,1,3-9H2,(H,14,15)(H,17,18)
InChIKeySFZKJSRMNOWOPS-UHFFFAOYSA-N
XLogP1.08
TPSA110.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.08
H-Bond Donors ≤ 52
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

3-(2-prop-2-enoyloxyethoxymethoxy)propanoic acid
CID 20793408
2-(3-prop-2-enoyloxypropyl)butanedioic acid
CID 130234313
2-[2-[2-[6-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]hexoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 101134249
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]ethyl prop-2-enoate
CID 135130326
2-(2-prop-2-enoyloxyethoxymethyl)propanedioic acid
CID 172861993
3-[2-[2-(3-prop-2-enoyloxypropoxy)ethoxy]ethoxy]propyl prop-2-enoate
CID 151846925
hexanedioic acid;3-prop-2-enoyloxybutyl prop-2-enoate
CID 157302822
2-(3-hydroxypropoxy)ethyl prop-2-enoate
CID 59345604
2-[2-[2-[2-[2-[2-[2-[2-[3-[3-[3-[3-[3-(3-hydroxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 59511003
sodium;2-hex-5-enylhexanedioic acid;hydride
CID 175176644
3-[2-(2-carboxyethoxymethyl)-3-(3-prop-2-enoyloxypropoxy)-2-(3-prop-2-enoyloxypropoxymethyl)propoxy]propanoic acid
CID 90141069
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-prop-2-enoyloxyethoxy)ethyl]hexanedioic acid?
The IUPAC name of 2-[2-(2-prop-2-enoyloxyethoxy)ethyl]hexanedioic acid (CID 172811544) is 2-[2-(2-prop-2-enoyloxyethoxy)ethyl]hexanedioic acid.
What is the SMILES notation for 2-[2-(2-prop-2-enoyloxyethoxy)ethyl]hexanedioic acid?
The canonical SMILES for 2-[2-(2-prop-2-enoyloxyethoxy)ethyl]hexanedioic acid is C=CC(=O)OCCOCCC(CCCC(=O)O)C(=O)O.
What is the InChIKey of 2-[2-(2-prop-2-enoyloxyethoxy)ethyl]hexanedioic acid?
The InChIKey is SFZKJSRMNOWOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O7/c1-2-12(16)20-9-8-19-7-6-10(13(17)18)4-3-5-11(14)15/h2,10H,1,3-9H2,(H,14,15)(H,17,18).
What are the key properties of 2-[2-(2-prop-2-enoyloxyethoxy)ethyl]hexanedioic acid?
2-[2-(2-prop-2-enoyloxyethoxy)ethyl]hexanedioic acid has a molecular weight of 288.30 g/mol, XLogP of 1.08, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-prop-2-enoyloxyethoxy)ethyl]hexanedioic acid is sourced from PubChem (CID 172811544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).