3-(2-prop-2-enoyloxyethoxymethoxy)propanoic acid

C9H14O6 — CID 20793408

IUPAC3-(2-prop-2-enoyloxyethoxymethoxy)propanoic acid
SMILESC=CC(=O)OCCOCOCCC(=O)O
InChIInChI=1S/C9H14O6/c1-2-9(12)15-6-5-14-7-13-4-3-8(10)11/h2H,1,3-7H2,(H,10,11)
InChIKeySSEJOJBHSXENDV-UHFFFAOYSA-N
MW218.20 g/mol
LogP0.18
Rot. Bonds9

About 3-(2-prop-2-enoyloxyethoxymethoxy)propanoic acid

3-(2-prop-2-enoyloxyethoxymethoxy)propanoic acid (PubChem CID 20793408) has the molecular formula C9H14O6 and a molecular weight of 218.20 g/mol. Its IUPAC name is 3-(2-prop-2-enoyloxyethoxymethoxy)propanoic acid.

Molecular Properties

Compound Name3-(2-prop-2-enoyloxyethoxymethoxy)propanoic acid
PubChem CID20793408
Molecular FormulaC9H14O6
Molecular Weight218.20 g/mol
Exact Mass218.08
IUPAC Name3-(2-prop-2-enoyloxyethoxymethoxy)propanoic acid
SMILESC=CC(=O)OCCOCOCCC(=O)O
InChIInChI=1S/C9H14O6/c1-2-9(12)15-6-5-14-7-13-4-3-8(10)11/h2H,1,3-7H2,(H,10,11)
InChIKeySSEJOJBHSXENDV-UHFFFAOYSA-N
XLogP0.18
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[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
3-[2-(2-carboxyethoxymethyl)-3-(3-prop-2-enoyloxypropoxy)-2-(3-prop-2-enoyloxypropoxymethyl)propoxy]propanoic acid
CID 90141069
2-[2-(2-prop-2-enoyloxyethoxy)ethyl]hexanedioic acid
CID 172811544
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
3-[(1-acetyloxy-3-prop-2-enoyloxypropan-2-yl)oxymethoxy]propanoic acid
CID 20793476
butyl prop-2-enoate;3-prop-2-enoyloxypropanoic acid
CID 159949412
2-[2-[2-[6-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]hexoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 101134249
2-(2-prop-2-enoyloxyethoxymethyl)propanedioic acid
CID 172861993
2-hydroxypropyl prop-2-enoate;3-prop-2-enoyloxypropanoic acid
CID 87645006
3-(2-prop-2-enoxyethoxy)propanoic acid
CID 59615985
3-[2-[2-(3-prop-2-enoyloxypropoxy)ethoxy]ethoxy]propyl prop-2-enoate
CID 151846925
3-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]propanoic acid
CID 13225972

Frequently Asked Questions

What is the IUPAC name of 3-(2-prop-2-enoyloxyethoxymethoxy)propanoic acid?
The IUPAC name of 3-(2-prop-2-enoyloxyethoxymethoxy)propanoic acid (CID 20793408) is 3-(2-prop-2-enoyloxyethoxymethoxy)propanoic acid.
What is the SMILES notation for 3-(2-prop-2-enoyloxyethoxymethoxy)propanoic acid?
The canonical SMILES for 3-(2-prop-2-enoyloxyethoxymethoxy)propanoic acid is C=CC(=O)OCCOCOCCC(=O)O.
What is the InChIKey of 3-(2-prop-2-enoyloxyethoxymethoxy)propanoic acid?
The InChIKey is SSEJOJBHSXENDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O6/c1-2-9(12)15-6-5-14-7-13-4-3-8(10)11/h2H,1,3-7H2,(H,10,11).
What are the key properties of 3-(2-prop-2-enoyloxyethoxymethoxy)propanoic acid?
3-(2-prop-2-enoyloxyethoxymethoxy)propanoic acid has a molecular weight of 218.20 g/mol, XLogP of 0.18, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-prop-2-enoyloxyethoxymethoxy)propanoic acid is sourced from PubChem (CID 20793408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).