(E)-4-(2-ethenoxyethoxy)-4-oxobut-2-enoic acid

C8H10O5 — CID 139924951

IUPAC(E)-4-(2-ethenoxyethoxy)-4-oxobut-2-enoic acid
SMILESC=COCCOC(=O)/C=C/C(=O)O
InChIInChI=1S/C8H10O5/c1-2-12-5-6-13-8(11)4-3-7(9)10/h2-4H,1,5-6H2,(H,9,10)/b4-3+
InChIKeyLNFRABBYLRRZEF-ONEGZZNKSA-N
MW186.16 g/mol
LogP0.33
Rot. Bonds6

About (E)-4-(2-ethenoxyethoxy)-4-oxobut-2-enoic acid

(E)-4-(2-ethenoxyethoxy)-4-oxobut-2-enoic acid (PubChem CID 139924951) has the molecular formula C8H10O5 and a molecular weight of 186.16 g/mol. Its IUPAC name is (E)-4-(2-ethenoxyethoxy)-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(E)-4-(2-ethenoxyethoxy)-4-oxobut-2-enoic acid
PubChem CID139924951
Molecular FormulaC8H10O5
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Name(E)-4-(2-ethenoxyethoxy)-4-oxobut-2-enoic acid
SMILESC=COCCOC(=O)/C=C/C(=O)O
InChIInChI=1S/C8H10O5/c1-2-12-5-6-13-8(11)4-3-7(9)10/h2-4H,1,5-6H2,(H,9,10)/b4-3+
InChIKeyLNFRABBYLRRZEF-ONEGZZNKSA-N
XLogP0.33
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(E)-4-[2-[(E)-3-carboxyprop-2-enoyl]oxyethoxy]-4-oxobut-2-enoic acid
CID 6436495
methane;(E)-4-(2-methoxyethoxy)-4-oxobut-2-enoic acid
CID 157127007
2-ethenoxyethyl 3-phenylprop-2-enoate
CID 54391512
(Z)-4-oxo-4-pent-4-enoxybut-2-enoic acid
CID 141049132
4-oxo-4-(4-prop-2-enoyloxybutoxy)but-2-enoic acid
CID 73413412
(E)-4-oxo-4-(3-oxopent-4-enoxy)but-2-enoic acid
CID 87874272
(E)-but-2-enedioic acid;1-ethenoxybutane
CID 18004020
5-ethenoxypent-2-enoic acid
CID 173182638
(Z)-4-(2-fluoroethoxy)-4-oxobut-2-enoic acid
CID 87627186
(Z)-but-2-enedioic acid;ethenoxyethane
CID 87901809
(Z)-4-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-oxobut-2-enoic acid
CID 88739197
4-(methoxymethoxy)-4-oxobut-2-enoic acid
CID 54076670

Frequently Asked Questions

What is the IUPAC name of (E)-4-(2-ethenoxyethoxy)-4-oxobut-2-enoic acid?
The IUPAC name of (E)-4-(2-ethenoxyethoxy)-4-oxobut-2-enoic acid (CID 139924951) is (E)-4-(2-ethenoxyethoxy)-4-oxobut-2-enoic acid.
What is the SMILES notation for (E)-4-(2-ethenoxyethoxy)-4-oxobut-2-enoic acid?
The canonical SMILES for (E)-4-(2-ethenoxyethoxy)-4-oxobut-2-enoic acid is C=COCCOC(=O)/C=C/C(=O)O.
What is the InChIKey of (E)-4-(2-ethenoxyethoxy)-4-oxobut-2-enoic acid?
The InChIKey is LNFRABBYLRRZEF-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H10O5/c1-2-12-5-6-13-8(11)4-3-7(9)10/h2-4H,1,5-6H2,(H,9,10)/b4-3+.
What are the key properties of (E)-4-(2-ethenoxyethoxy)-4-oxobut-2-enoic acid?
(E)-4-(2-ethenoxyethoxy)-4-oxobut-2-enoic acid has a molecular weight of 186.16 g/mol, XLogP of 0.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2-ethenoxyethoxy)-4-oxobut-2-enoic acid is sourced from PubChem (CID 139924951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).