2-(2-but-2-enoyloxyethyl)butanedioic acid

C10H14O6 — CID 141431183

IUPAC2-(2-but-2-enoyloxyethyl)butanedioic acid
SMILESCC=CC(=O)OCCC(CC(=O)O)C(=O)O
InChIInChI=1S/C10H14O6/c1-2-3-9(13)16-5-4-7(10(14)15)6-8(11)12/h2-3,7H,4-6H2,1H3,(H,11,12)(H,14,15)
InChIKeyHSKACDHMUKVNHM-UHFFFAOYSA-N
MW230.22 g/mol
LogP0.67
Rot. Bonds7

About 2-(2-but-2-enoyloxyethyl)butanedioic acid

2-(2-but-2-enoyloxyethyl)butanedioic acid (PubChem CID 141431183) has the molecular formula C10H14O6 and a molecular weight of 230.22 g/mol. Its IUPAC name is 2-(2-but-2-enoyloxyethyl)butanedioic acid.

Molecular Properties

Compound Name2-(2-but-2-enoyloxyethyl)butanedioic acid
PubChem CID141431183
Molecular FormulaC10H14O6
Molecular Weight230.22 g/mol
Exact Mass230.08
IUPAC Name2-(2-but-2-enoyloxyethyl)butanedioic acid
SMILESCC=CC(=O)OCCC(CC(=O)O)C(=O)O
InChIInChI=1S/C10H14O6/c1-2-3-9(13)16-5-4-7(10(14)15)6-8(11)12/h2-3,7H,4-6H2,1H3,(H,11,12)(H,14,15)
InChIKeyHSKACDHMUKVNHM-UHFFFAOYSA-N
XLogP0.67
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methylbutyl (Z)-but-2-enoate
CID 93481892
2-(2-methoxyethyl)butanedioic acid
CID 13255587
2-(3-prop-2-enoyloxypropyl)butanedioic acid
CID 130234313
2-[2-(2-methoxyethoxy)ethyl]butanedioic acid
CID 174998177
4-but-2-enoyloxybutan-2-yl sulfite
CID 174948487
2-[(E)-but-2-enoyl]oxyethyl (E)-but-2-enoate;ethane-1,2-diol
CID 87089825
2-(3-acetyloxypropyl)butanedioic acid
CID 10465956
4-hydroxypentyl (E)-but-2-enoate
CID 88654107
2-(2-prop-2-enoylperoxyethyl)butanedioic acid
CID 87467812
ethyl (E)-but-2-enoate;methanamine
CID 88817268
(2S)-2-propylbutanedioic acid
CID 12648185
2-[(E)-dodec-10-enyl]butanedioic acid
CID 101277909

Frequently Asked Questions

What is the IUPAC name of 2-(2-but-2-enoyloxyethyl)butanedioic acid?
The IUPAC name of 2-(2-but-2-enoyloxyethyl)butanedioic acid (CID 141431183) is 2-(2-but-2-enoyloxyethyl)butanedioic acid.
What is the SMILES notation for 2-(2-but-2-enoyloxyethyl)butanedioic acid?
The canonical SMILES for 2-(2-but-2-enoyloxyethyl)butanedioic acid is CC=CC(=O)OCCC(CC(=O)O)C(=O)O.
What is the InChIKey of 2-(2-but-2-enoyloxyethyl)butanedioic acid?
The InChIKey is HSKACDHMUKVNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O6/c1-2-3-9(13)16-5-4-7(10(14)15)6-8(11)12/h2-3,7H,4-6H2,1H3,(H,11,12)(H,14,15).
What are the key properties of 2-(2-but-2-enoyloxyethyl)butanedioic acid?
2-(2-but-2-enoyloxyethyl)butanedioic acid has a molecular weight of 230.22 g/mol, XLogP of 0.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-but-2-enoyloxyethyl)butanedioic acid is sourced from PubChem (CID 141431183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).