(E)-4-(2-methoxyethoxy)-3-methylbut-2-enoic acid

C8H14O4 — CID 63775244

IUPAC(E)-4-(2-methoxyethoxy)-3-methylbut-2-enoic acid
SMILESCOCCOC/C(C)=C/C(=O)O
InChIInChI=1S/C8H14O4/c1-7(5-8(9)10)6-12-4-3-11-2/h5H,3-4,6H2,1-2H3,(H,9,10)/b7-5+
InChIKeyCKFWPOYCHRMEDZ-FNORWQNLSA-N
MW174.20 g/mol
LogP0.68
Rot. Bonds6

About (E)-4-(2-methoxyethoxy)-3-methylbut-2-enoic acid

(E)-4-(2-methoxyethoxy)-3-methylbut-2-enoic acid (PubChem CID 63775244) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is (E)-4-(2-methoxyethoxy)-3-methylbut-2-enoic acid.

Molecular Properties

Compound Name(E)-4-(2-methoxyethoxy)-3-methylbut-2-enoic acid
PubChem CID63775244
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name(E)-4-(2-methoxyethoxy)-3-methylbut-2-enoic acid
SMILESCOCCOC/C(C)=C/C(=O)O
InChIInChI=1S/C8H14O4/c1-7(5-8(9)10)6-12-4-3-11-2/h5H,3-4,6H2,1-2H3,(H,9,10)/b7-5+
InChIKeyCKFWPOYCHRMEDZ-FNORWQNLSA-N
XLogP0.68
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of (E)-4-(2-methoxyethoxy)-3-methylbut-2-enoic acid?
The IUPAC name of (E)-4-(2-methoxyethoxy)-3-methylbut-2-enoic acid (CID 63775244) is (E)-4-(2-methoxyethoxy)-3-methylbut-2-enoic acid.
What is the SMILES notation for (E)-4-(2-methoxyethoxy)-3-methylbut-2-enoic acid?
The canonical SMILES for (E)-4-(2-methoxyethoxy)-3-methylbut-2-enoic acid is COCCOC/C(C)=C/C(=O)O.
What is the InChIKey of (E)-4-(2-methoxyethoxy)-3-methylbut-2-enoic acid?
The InChIKey is CKFWPOYCHRMEDZ-FNORWQNLSA-N. The full InChI is InChI=1S/C8H14O4/c1-7(5-8(9)10)6-12-4-3-11-2/h5H,3-4,6H2,1-2H3,(H,9,10)/b7-5+.
What are the key properties of (E)-4-(2-methoxyethoxy)-3-methylbut-2-enoic acid?
(E)-4-(2-methoxyethoxy)-3-methylbut-2-enoic acid has a molecular weight of 174.20 g/mol, XLogP of 0.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2-methoxyethoxy)-3-methylbut-2-enoic acid is sourced from PubChem (CID 63775244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).