(E)-4-[2-[(E)-3-carboxyprop-2-enoyl]oxyethoxy]-4-oxobut-2-enoic acid

C10H10O8 — CID 6436495

IUPAC(E)-4-[2-[(E)-3-carboxyprop-2-enoyl]oxyethoxy]-4-oxobut-2-enoic acid
SMILESO=C(O)/C=C/C(=O)OCCOC(=O)/C=C/C(=O)O
InChIInChI=1S/C10H10O8/c11-7(12)1-3-9(15)17-5-6-18-10(16)4-2-8(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14)/b3-1+,4-2+
InChIKeySORHAFXJCOXOIC-ZPUQHVIOSA-N
MW258.18 g/mol
LogP-0.65
Rot. Bonds7

About (E)-4-[2-[(E)-3-carboxyprop-2-enoyl]oxyethoxy]-4-oxobut-2-enoic acid

(E)-4-[2-[(E)-3-carboxyprop-2-enoyl]oxyethoxy]-4-oxobut-2-enoic acid (PubChem CID 6436495) has the molecular formula C10H10O8 and a molecular weight of 258.18 g/mol. Its IUPAC name is (E)-4-[2-[(E)-3-carboxyprop-2-enoyl]oxyethoxy]-4-oxobut-2-enoic acid.

Molecular Properties

Compound Name(E)-4-[2-[(E)-3-carboxyprop-2-enoyl]oxyethoxy]-4-oxobut-2-enoic acid
PubChem CID6436495
Molecular FormulaC10H10O8
Molecular Weight258.18 g/mol
Exact Mass258.04
IUPAC Name(E)-4-[2-[(E)-3-carboxyprop-2-enoyl]oxyethoxy]-4-oxobut-2-enoic acid
SMILESO=C(O)/C=C/C(=O)OCCOC(=O)/C=C/C(=O)O
InChIInChI=1S/C10H10O8/c11-7(12)1-3-9(15)17-5-6-18-10(16)4-2-8(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14)/b3-1+,4-2+
InChIKeySORHAFXJCOXOIC-ZPUQHVIOSA-N
XLogP-0.65
TPSA127.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.18
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Related Compounds

methane;(E)-4-(2-methoxyethoxy)-4-oxobut-2-enoic acid
CID 157127007
(Z)-4-(2-fluoroethoxy)-4-oxobut-2-enoic acid
CID 87627186
(E)-4-(2-ethenoxyethoxy)-4-oxobut-2-enoic acid
CID 139924951
(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
diethyl but-2-enedioate;4-ethoxy-4-oxobut-2-enoic acid
CID 158661687
(Z)-4-butoxy-4-oxobut-2-enoic acid
CID 175730618
4-(4-hydroxybutoxy)-4-oxobut-2-enoic acid
CID 54424578
CID 87309385
CID 87309385
(E)-4-ethoxy-4-oxobut-2-enoic acid;zinc
CID 6450328
carbonic acid;(Z)-4-ethoxy-4-oxobut-2-enoic acid
CID 175217874
sodium (E)-4-ethoxy-4-oxobut-2-enoic acid
CID 20838311
(Z)-4-ethoxy-4-oxobut-2-enoic acid;gadolinium
CID 175407847

Frequently Asked Questions

What is the IUPAC name of (E)-4-[2-[(E)-3-carboxyprop-2-enoyl]oxyethoxy]-4-oxobut-2-enoic acid?
The IUPAC name of (E)-4-[2-[(E)-3-carboxyprop-2-enoyl]oxyethoxy]-4-oxobut-2-enoic acid (CID 6436495) is (E)-4-[2-[(E)-3-carboxyprop-2-enoyl]oxyethoxy]-4-oxobut-2-enoic acid.
What is the SMILES notation for (E)-4-[2-[(E)-3-carboxyprop-2-enoyl]oxyethoxy]-4-oxobut-2-enoic acid?
The canonical SMILES for (E)-4-[2-[(E)-3-carboxyprop-2-enoyl]oxyethoxy]-4-oxobut-2-enoic acid is O=C(O)/C=C/C(=O)OCCOC(=O)/C=C/C(=O)O.
What is the InChIKey of (E)-4-[2-[(E)-3-carboxyprop-2-enoyl]oxyethoxy]-4-oxobut-2-enoic acid?
The InChIKey is SORHAFXJCOXOIC-ZPUQHVIOSA-N. The full InChI is InChI=1S/C10H10O8/c11-7(12)1-3-9(15)17-5-6-18-10(16)4-2-8(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14)/b3-1+,4-2+.
What are the key properties of (E)-4-[2-[(E)-3-carboxyprop-2-enoyl]oxyethoxy]-4-oxobut-2-enoic acid?
(E)-4-[2-[(E)-3-carboxyprop-2-enoyl]oxyethoxy]-4-oxobut-2-enoic acid has a molecular weight of 258.18 g/mol, XLogP of -0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[2-[(E)-3-carboxyprop-2-enoyl]oxyethoxy]-4-oxobut-2-enoic acid is sourced from PubChem (CID 6436495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).