2-(oxolan-2-yl)but-2-enedioic acid

C8H10O5 — CID 54547800

IUPAC2-(oxolan-2-yl)but-2-enedioic acid
SMILESO=C(O)C=C(C(=O)O)C1CCCO1
InChIInChI=1S/C8H10O5/c9-7(10)4-5(8(11)12)6-2-1-3-13-6/h4,6H,1-3H2,(H,9,10)(H,11,12)
InChIKeyZHTVLANCDGMGAD-UHFFFAOYSA-N
MW186.16 g/mol
LogP0.26
Rot. Bonds3

About 2-(oxolan-2-yl)but-2-enedioic acid

2-(oxolan-2-yl)but-2-enedioic acid (PubChem CID 54547800) has the molecular formula C8H10O5 and a molecular weight of 186.16 g/mol. Its IUPAC name is 2-(oxolan-2-yl)but-2-enedioic acid.

Molecular Properties

Compound Name2-(oxolan-2-yl)but-2-enedioic acid
PubChem CID54547800
Molecular FormulaC8H10O5
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Name2-(oxolan-2-yl)but-2-enedioic acid
SMILESO=C(O)C=C(C(=O)O)C1CCCO1
InChIInChI=1S/C8H10O5/c9-7(10)4-5(8(11)12)6-2-1-3-13-6/h4,6H,1-3H2,(H,9,10)(H,11,12)
InChIKeyZHTVLANCDGMGAD-UHFFFAOYSA-N
XLogP0.26
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-yl)but-2-enedioic acid?
The IUPAC name of 2-(oxolan-2-yl)but-2-enedioic acid (CID 54547800) is 2-(oxolan-2-yl)but-2-enedioic acid.
What is the SMILES notation for 2-(oxolan-2-yl)but-2-enedioic acid?
The canonical SMILES for 2-(oxolan-2-yl)but-2-enedioic acid is O=C(O)C=C(C(=O)O)C1CCCO1.
What is the InChIKey of 2-(oxolan-2-yl)but-2-enedioic acid?
The InChIKey is ZHTVLANCDGMGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O5/c9-7(10)4-5(8(11)12)6-2-1-3-13-6/h4,6H,1-3H2,(H,9,10)(H,11,12).
What are the key properties of 2-(oxolan-2-yl)but-2-enedioic acid?
2-(oxolan-2-yl)but-2-enedioic acid has a molecular weight of 186.16 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)but-2-enedioic acid is sourced from PubChem (CID 54547800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).