4-(2-ethenoxyethoxy)-2-methylpent-2-enoic acid

C10H16O4 — CID 173009851

IUPAC4-(2-ethenoxyethoxy)-2-methylpent-2-enoic acid
SMILESC=COCCOC(C)C=C(C)C(=O)O
InChIInChI=1S/C10H16O4/c1-4-13-5-6-14-9(3)7-8(2)10(11)12/h4,7,9H,1,5-6H2,2-3H3,(H,11,12)
InChIKeyJQRYSRBJXKIINU-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.58
Rot. Bonds7

About 4-(2-ethenoxyethoxy)-2-methylpent-2-enoic acid

4-(2-ethenoxyethoxy)-2-methylpent-2-enoic acid (PubChem CID 173009851) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 4-(2-ethenoxyethoxy)-2-methylpent-2-enoic acid.

Molecular Properties

Compound Name4-(2-ethenoxyethoxy)-2-methylpent-2-enoic acid
PubChem CID173009851
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name4-(2-ethenoxyethoxy)-2-methylpent-2-enoic acid
SMILESC=COCCOC(C)C=C(C)C(=O)O
InChIInChI=1S/C10H16O4/c1-4-13-5-6-14-9(3)7-8(2)10(11)12/h4,7,9H,1,5-6H2,2-3H3,(H,11,12)
InChIKeyJQRYSRBJXKIINU-UHFFFAOYSA-N
XLogP1.58
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1,2-bis(ethenoxy)ethane;2-methylbut-2-enoic acid
CID 174797492
4-(ethenoxymethyl)-2-methylhex-2-enoic acid
CID 91368270
2-methyl-4-[2-(2,2,3,3,3-pentafluoropropoxy)ethoxy]pent-2-enoic acid
CID 87574398
3-(2-ethenoxyethoxy)butan-2-ol
CID 90891465
2-(2-ethenoxyethoxy)propyl acetate
CID 139969470
2-(2-ethenoxyethoxy)propane
CID 14510947
2-(2-ethenoxyethoxy)-3-methylbutane
CID 164755037
acetic acid;2-ethenoxyethanol
CID 71400985
4-(1-methoxyethoxy)-2-methylpent-2-enoic acid
CID 173009855
2-(2-ethenoxyethyl)-3-oxobutanoic acid
CID 59550015
2-methyl-4,6-bis(prop-2-enoxy)hex-2-enoic acid
CID 173290115
1-ethenoxy-2-methoxyethane
CID 15457

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethenoxyethoxy)-2-methylpent-2-enoic acid?
The IUPAC name of 4-(2-ethenoxyethoxy)-2-methylpent-2-enoic acid (CID 173009851) is 4-(2-ethenoxyethoxy)-2-methylpent-2-enoic acid.
What is the SMILES notation for 4-(2-ethenoxyethoxy)-2-methylpent-2-enoic acid?
The canonical SMILES for 4-(2-ethenoxyethoxy)-2-methylpent-2-enoic acid is C=COCCOC(C)C=C(C)C(=O)O.
What is the InChIKey of 4-(2-ethenoxyethoxy)-2-methylpent-2-enoic acid?
The InChIKey is JQRYSRBJXKIINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-4-13-5-6-14-9(3)7-8(2)10(11)12/h4,7,9H,1,5-6H2,2-3H3,(H,11,12).
What are the key properties of 4-(2-ethenoxyethoxy)-2-methylpent-2-enoic acid?
4-(2-ethenoxyethoxy)-2-methylpent-2-enoic acid has a molecular weight of 200.23 g/mol, XLogP of 1.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethenoxyethoxy)-2-methylpent-2-enoic acid is sourced from PubChem (CID 173009851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).