(E)-4-[2-[2-[2-[2-[(E)-but-2-enoyl]oxyethoxy]ethoxy]ethoxy]ethoxy]-4-oxobut-2-eneperoxoic acid

C16H24O10 — CID 146427567

IUPAC(E)-4-[2-[2-[2-[2-[(E)-but-2-enoyl]oxyethoxy]ethoxy]ethoxy]ethoxy]-4-oxobut-2-eneperoxoic acid
SMILESC/C=C/C(=O)OCCOCCOCCOCCOC(=O)/C=C/C(=O)OO
InChIInChI=1S/C16H24O10/c1-2-3-14(17)24-12-10-22-8-6-21-7-9-23-11-13-25-15(18)4-5-16(19)26-20/h2-5,20H,6-13H2,1H3/b3-2+,5-4+
InChIKeyARGATWMRFSWSNQ-MQQKCMAXSA-N
MW376.36 g/mol
LogP0.27
Rot. Bonds15

About (E)-4-[2-[2-[2-[2-[(E)-but-2-enoyl]oxyethoxy]ethoxy]ethoxy]ethoxy]-4-oxobut-2-eneperoxoic acid

(E)-4-[2-[2-[2-[2-[(E)-but-2-enoyl]oxyethoxy]ethoxy]ethoxy]ethoxy]-4-oxobut-2-eneperoxoic acid (PubChem CID 146427567) has the molecular formula C16H24O10 and a molecular weight of 376.36 g/mol. Its IUPAC name is (E)-4-[2-[2-[2-[2-[(E)-but-2-enoyl]oxyethoxy]ethoxy]ethoxy]ethoxy]-4-oxobut-2-eneperoxoic acid.

Molecular Properties

Compound Name(E)-4-[2-[2-[2-[2-[(E)-but-2-enoyl]oxyethoxy]ethoxy]ethoxy]ethoxy]-4-oxobut-2-eneperoxoic acid
PubChem CID146427567
Molecular FormulaC16H24O10
Molecular Weight376.36 g/mol
Exact Mass376.14
IUPAC Name(E)-4-[2-[2-[2-[2-[(E)-but-2-enoyl]oxyethoxy]ethoxy]ethoxy]ethoxy]-4-oxobut-2-eneperoxoic acid
SMILESC/C=C/C(=O)OCCOCCOCCOCCOC(=O)/C=C/C(=O)OO
InChIInChI=1S/C16H24O10/c1-2-3-14(17)24-12-10-22-8-6-21-7-9-23-11-13-25-15(18)4-5-16(19)26-20/h2-5,20H,6-13H2,1H3/b3-2+,5-4+
InChIKeyARGATWMRFSWSNQ-MQQKCMAXSA-N
XLogP0.27
TPSA126.82 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyethoxy)ethyl (Z)-but-2-enoate
CID 5385708
2-[(E)-but-2-enoyl]oxyethyl (E)-but-2-enoate;ethane-1,2-diol
CID 87089825
2-(2-isocyanatoethoxy)ethyl (E)-but-2-enoate
CID 90352979
bis[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl] (Z)-but-2-enedioate
CID 87256441
4-O-[2-[2-(4-butoxy-4-oxobut-2-enoyl)oxyethoxy]ethyl] 1-O-butyl but-2-enedioate
CID 54354439
2-[2-[2-[2-[(E)-3-(4-methylpiperazin-1-yl)prop-2-enoyl]oxyethoxy]ethoxy]ethoxy]ethyl (E)-but-2-enoate
CID 176880631
4-ethoxy-4-oxobut-2-eneperoxoic acid
CID 54480920
3-methylbutyl (Z)-but-2-enoate
CID 93481892
bis(2-octadecoxyethyl) (E)-but-2-enedioate
CID 175154746
2-[2-[2-[2-(3-chloroprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethyl 3-chloroprop-2-enoate
CID 54570646
[3-[(Z)-but-2-enoyl]oxy-2-[[(Z)-but-2-enoyl]oxymethyl]propyl] (Z)-but-2-enoate
CID 101312278
2-hexa-2,4-dienoyloxyethyl hexa-2,4-dienoate
CID 54422088

Frequently Asked Questions

What is the IUPAC name of (E)-4-[2-[2-[2-[2-[(E)-but-2-enoyl]oxyethoxy]ethoxy]ethoxy]ethoxy]-4-oxobut-2-eneperoxoic acid?
The IUPAC name of (E)-4-[2-[2-[2-[2-[(E)-but-2-enoyl]oxyethoxy]ethoxy]ethoxy]ethoxy]-4-oxobut-2-eneperoxoic acid (CID 146427567) is (E)-4-[2-[2-[2-[2-[(E)-but-2-enoyl]oxyethoxy]ethoxy]ethoxy]ethoxy]-4-oxobut-2-eneperoxoic acid.
What is the SMILES notation for (E)-4-[2-[2-[2-[2-[(E)-but-2-enoyl]oxyethoxy]ethoxy]ethoxy]ethoxy]-4-oxobut-2-eneperoxoic acid?
The canonical SMILES for (E)-4-[2-[2-[2-[2-[(E)-but-2-enoyl]oxyethoxy]ethoxy]ethoxy]ethoxy]-4-oxobut-2-eneperoxoic acid is C/C=C/C(=O)OCCOCCOCCOCCOC(=O)/C=C/C(=O)OO.
What is the InChIKey of (E)-4-[2-[2-[2-[2-[(E)-but-2-enoyl]oxyethoxy]ethoxy]ethoxy]ethoxy]-4-oxobut-2-eneperoxoic acid?
The InChIKey is ARGATWMRFSWSNQ-MQQKCMAXSA-N. The full InChI is InChI=1S/C16H24O10/c1-2-3-14(17)24-12-10-22-8-6-21-7-9-23-11-13-25-15(18)4-5-16(19)26-20/h2-5,20H,6-13H2,1H3/b3-2+,5-4+.
What are the key properties of (E)-4-[2-[2-[2-[2-[(E)-but-2-enoyl]oxyethoxy]ethoxy]ethoxy]ethoxy]-4-oxobut-2-eneperoxoic acid?
(E)-4-[2-[2-[2-[2-[(E)-but-2-enoyl]oxyethoxy]ethoxy]ethoxy]ethoxy]-4-oxobut-2-eneperoxoic acid has a molecular weight of 376.36 g/mol, XLogP of 0.27, 15 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[2-[2-[2-[2-[(E)-but-2-enoyl]oxyethoxy]ethoxy]ethoxy]ethoxy]-4-oxobut-2-eneperoxoic acid is sourced from PubChem (CID 146427567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).