3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylprop-2-enoic acid

C11H20O6 — CID 56998613

IUPAC3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylprop-2-enoic acid
SMILESCOCCOCCOCCOC=C(C)C(=O)O
InChIInChI=1S/C11H20O6/c1-10(11(12)13)9-17-8-7-16-6-5-15-4-3-14-2/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyQUXFNZMOCQDBFR-UHFFFAOYSA-N
MW248.27 g/mol
LogP0.67
Rot. Bonds11

About 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylprop-2-enoic acid

3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylprop-2-enoic acid (PubChem CID 56998613) has the molecular formula C11H20O6 and a molecular weight of 248.27 g/mol. Its IUPAC name is 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylprop-2-enoic acid.

Molecular Properties

Compound Name3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylprop-2-enoic acid
PubChem CID56998613
Molecular FormulaC11H20O6
Molecular Weight248.27 g/mol
Exact Mass248.13
IUPAC Name3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylprop-2-enoic acid
SMILESCOCCOCCOCCOC=C(C)C(=O)O
InChIInChI=1S/C11H20O6/c1-10(11(12)13)9-17-8-7-16-6-5-15-4-3-14-2/h9H,3-8H2,1-2H3,(H,12,13)
InChIKeyQUXFNZMOCQDBFR-UHFFFAOYSA-N
XLogP0.67
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-methylprop-2-enoic acid
CID 173082103
methyl 3-(2-methoxyethoxy)-2-methylprop-2-enoate
CID 175087641
3-[3-(2-carboxyprop-1-enoxy)-2-hydroxypropoxy]-2-methylprop-2-enoic acid
CID 87559125
1,2-bis(ethenoxy)ethane;2-methylbut-2-enoic acid
CID 174797492
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxyethane;1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxyethane;1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxyethane;1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxyethane;1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-2-methoxyethane
CID 158513619
butan-2-one;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 161208459
1-[(E)-but-2-en-2-yl]-4-[(E)-1-[2-(2-methoxyethoxy)ethoxy]prop-1-en-2-yl]benzene
CID 156647396
ethyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-2-methylprop-2-enoate
CID 174610941
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane carbonate
CID 23366578

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylprop-2-enoic acid?
The IUPAC name of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylprop-2-enoic acid (CID 56998613) is 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylprop-2-enoic acid.
What is the SMILES notation for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylprop-2-enoic acid?
The canonical SMILES for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylprop-2-enoic acid is COCCOCCOCCOC=C(C)C(=O)O.
What is the InChIKey of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylprop-2-enoic acid?
The InChIKey is QUXFNZMOCQDBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O6/c1-10(11(12)13)9-17-8-7-16-6-5-15-4-3-14-2/h9H,3-8H2,1-2H3,(H,12,13).
What are the key properties of 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylprop-2-enoic acid?
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylprop-2-enoic acid has a molecular weight of 248.27 g/mol, XLogP of 0.67, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylprop-2-enoic acid is sourced from PubChem (CID 56998613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).