2,3-bis(2-prop-2-enoyloxyethyl)but-2-enedioic acid

C14H16O8 — CID 54300292

IUPAC2,3-bis(2-prop-2-enoyloxyethyl)but-2-enedioic acid
SMILESC=CC(=O)OCCC(C(=O)O)=C(CCOC(=O)C=C)C(=O)O
InChIInChI=1S/C14H16O8/c1-3-11(15)21-7-5-9(13(17)18)10(14(19)20)6-8-22-12(16)4-2/h3-4H,1-2,5-8H2,(H,17,18)(H,19,20)
InChIKeySDSCNCFNYRWVIW-UHFFFAOYSA-N
MW312.27 g/mol
LogP0.69
Rot. Bonds10

About 2,3-bis(2-prop-2-enoyloxyethyl)but-2-enedioic acid

2,3-bis(2-prop-2-enoyloxyethyl)but-2-enedioic acid (PubChem CID 54300292) has the molecular formula C14H16O8 and a molecular weight of 312.27 g/mol. Its IUPAC name is 2,3-bis(2-prop-2-enoyloxyethyl)but-2-enedioic acid.

Molecular Properties

Compound Name2,3-bis(2-prop-2-enoyloxyethyl)but-2-enedioic acid
PubChem CID54300292
Molecular FormulaC14H16O8
Molecular Weight312.27 g/mol
Exact Mass312.08
IUPAC Name2,3-bis(2-prop-2-enoyloxyethyl)but-2-enedioic acid
SMILESC=CC(=O)OCCC(C(=O)O)=C(CCOC(=O)C=C)C(=O)O
InChIInChI=1S/C14H16O8/c1-3-11(15)21-7-5-9(13(17)18)10(14(19)20)6-8-22-12(16)4-2/h3-4H,1-2,5-8H2,(H,17,18)(H,19,20)
InChIKeySDSCNCFNYRWVIW-UHFFFAOYSA-N
XLogP0.69
TPSA127.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.27
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2,3-bis(2-prop-2-enoyloxyethyl)but-2-enedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-prop-2-enoyloxyethyl)but-2-enoic acid
CID 91538853
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
3-prop-2-enoyloxypropanoate;zirconium(4+)
CID 172701120
methyl 3-prop-2-enoyloxypropanoate
CID 14496497
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
2-methyl-3-oxo-5-prop-2-enoyloxypentanoic acid
CID 141428250
butyl prop-2-enoate;3-prop-2-enoyloxypropanoic acid
CID 159949412
[3-oxo-3-[2-(3-prop-2-enoyloxypropanoyl)cyclohexyl]propyl] prop-2-enoate
CID 90972924
ethyl 3-prop-2-enoyloxypropanoate
CID 14496496
2-chloroethyl prop-2-enoate;ruthenium
CID 90254573

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(2-prop-2-enoyloxyethyl)but-2-enedioic acid?
The IUPAC name of 2,3-bis(2-prop-2-enoyloxyethyl)but-2-enedioic acid (CID 54300292) is 2,3-bis(2-prop-2-enoyloxyethyl)but-2-enedioic acid.
What is the SMILES notation for 2,3-bis(2-prop-2-enoyloxyethyl)but-2-enedioic acid?
The canonical SMILES for 2,3-bis(2-prop-2-enoyloxyethyl)but-2-enedioic acid is C=CC(=O)OCCC(C(=O)O)=C(CCOC(=O)C=C)C(=O)O.
What is the InChIKey of 2,3-bis(2-prop-2-enoyloxyethyl)but-2-enedioic acid?
The InChIKey is SDSCNCFNYRWVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O8/c1-3-11(15)21-7-5-9(13(17)18)10(14(19)20)6-8-22-12(16)4-2/h3-4H,1-2,5-8H2,(H,17,18)(H,19,20).
What are the key properties of 2,3-bis(2-prop-2-enoyloxyethyl)but-2-enedioic acid?
2,3-bis(2-prop-2-enoyloxyethyl)but-2-enedioic acid has a molecular weight of 312.27 g/mol, XLogP of 0.69, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(2-prop-2-enoyloxyethyl)but-2-enedioic acid is sourced from PubChem (CID 54300292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).