2-(2-methoxyethoxy)prop-2-enoic acid;2-methoxyethyl prop-2-enoate

C12H20O7 — CID 175833181

IUPAC2-(2-methoxyethoxy)prop-2-enoic acid;2-methoxyethyl prop-2-enoate
SMILESC=C(OCCOC)C(=O)O.C=CC(=O)OCCOC
InChIInChI=1S/C6H10O4.C6H10O3/c1-5(6(7)8)10-4-3-9-2;1-3-6(7)9-5-4-8-2/h1,3-4H2,2H3,(H,7,8);3H,1,4-5H2,2H3
InChIKeyRBFMIEZOJVCSJH-UHFFFAOYSA-N
MW276.28 g/mol
LogP0.61
Rot. Bonds9

About 2-(2-methoxyethoxy)prop-2-enoic acid;2-methoxyethyl prop-2-enoate

2-(2-methoxyethoxy)prop-2-enoic acid;2-methoxyethyl prop-2-enoate (PubChem CID 175833181) has the molecular formula C12H20O7 and a molecular weight of 276.28 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)prop-2-enoic acid;2-methoxyethyl prop-2-enoate.

Molecular Properties

Compound Name2-(2-methoxyethoxy)prop-2-enoic acid;2-methoxyethyl prop-2-enoate
PubChem CID175833181
Molecular FormulaC12H20O7
Molecular Weight276.28 g/mol
Exact Mass276.12
IUPAC Name2-(2-methoxyethoxy)prop-2-enoic acid;2-methoxyethyl prop-2-enoate
SMILESC=C(OCCOC)C(=O)O.C=CC(=O)OCCOC
InChIInChI=1S/C6H10O4.C6H10O3/c1-5(6(7)8)10-4-3-9-2;1-3-6(7)9-5-4-8-2/h1,3-4H2,2H3,(H,7,8);3H,1,4-5H2,2H3
InChIKeyRBFMIEZOJVCSJH-UHFFFAOYSA-N
XLogP0.61
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-ethoxyprop-2-enoic acid;ethyl prop-2-enoate
CID 174581308
4-methoxybutyl prop-2-enoate
CID 22321356
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
2-(2-methoxyethoxy)ethyl 2-methylprop-2-enoate;2-(2-methoxyethoxy)ethyl prop-2-enoate
CID 87967520
2-(2-methoxyethyldisulfanyl)ethyl prop-2-enoate
CID 139453919
methane;2-pentoxyprop-2-enoic acid;bis(prop-2-enoic acid)
CID 173223489
2-[bis(2-prop-2-enoyloxyethoxy)phosphoryloxy]ethyl prop-2-enoate;bis(2-methylprop-2-enoic acid);phosphoric acid
CID 172847247
2-(2-ethoxyethoxy)ethyl prop-2-enoate;2-methylprop-2-enoic acid
CID 87934107
bis(2-prop-2-enoyloxyethyl) phosphate
CID 22226175
2-[2-(2-prop-1-en-2-yloxyethoxy)ethoxy]ethyl prop-2-enoate
CID 141287577
2-prop-2-enoyloxyethyl 2-methylidenebutanoate
CID 57033268
2-ethoxyethyl prop-2-enoate;2-methylidenebutanoic acid
CID 175424652

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)prop-2-enoic acid;2-methoxyethyl prop-2-enoate?
The IUPAC name of 2-(2-methoxyethoxy)prop-2-enoic acid;2-methoxyethyl prop-2-enoate (CID 175833181) is 2-(2-methoxyethoxy)prop-2-enoic acid;2-methoxyethyl prop-2-enoate.
What is the SMILES notation for 2-(2-methoxyethoxy)prop-2-enoic acid;2-methoxyethyl prop-2-enoate?
The canonical SMILES for 2-(2-methoxyethoxy)prop-2-enoic acid;2-methoxyethyl prop-2-enoate is C=C(OCCOC)C(=O)O.C=CC(=O)OCCOC.
What is the InChIKey of 2-(2-methoxyethoxy)prop-2-enoic acid;2-methoxyethyl prop-2-enoate?
The InChIKey is RBFMIEZOJVCSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4.C6H10O3/c1-5(6(7)8)10-4-3-9-2;1-3-6(7)9-5-4-8-2/h1,3-4H2,2H3,(H,7,8);3H,1,4-5H2,2H3.
What are the key properties of 2-(2-methoxyethoxy)prop-2-enoic acid;2-methoxyethyl prop-2-enoate?
2-(2-methoxyethoxy)prop-2-enoic acid;2-methoxyethyl prop-2-enoate has a molecular weight of 276.28 g/mol, XLogP of 0.61, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)prop-2-enoic acid;2-methoxyethyl prop-2-enoate is sourced from PubChem (CID 175833181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).