2,5-bis(ethenyl)-4-formyloxolane-3-carboxylic acid

C10H12O4 — CID 58193706

IUPAC2,5-bis(ethenyl)-4-formyloxolane-3-carboxylic acid
SMILESC=CC1OC(C=C)C(C(=O)O)C1C=O
InChIInChI=1S/C10H12O4/c1-3-7-6(5-11)9(10(12)13)8(4-2)14-7/h3-9H,1-2H2,(H,12,13)
InChIKeyAACFFRVTFZLLKQ-UHFFFAOYSA-N
MW196.20 g/mol
LogP0.64
Rot. Bonds4

About 2,5-bis(ethenyl)-4-formyloxolane-3-carboxylic acid

2,5-bis(ethenyl)-4-formyloxolane-3-carboxylic acid (PubChem CID 58193706) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 2,5-bis(ethenyl)-4-formyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name2,5-bis(ethenyl)-4-formyloxolane-3-carboxylic acid
PubChem CID58193706
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name2,5-bis(ethenyl)-4-formyloxolane-3-carboxylic acid
SMILESC=CC1OC(C=C)C(C(=O)O)C1C=O
InChIInChI=1S/C10H12O4/c1-3-7-6(5-11)9(10(12)13)8(4-2)14-7/h3-9H,1-2H2,(H,12,13)
InChIKeyAACFFRVTFZLLKQ-UHFFFAOYSA-N
XLogP0.64
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(ethenyl)-4-formyloxolane-3-carboxylic acid?
The IUPAC name of 2,5-bis(ethenyl)-4-formyloxolane-3-carboxylic acid (CID 58193706) is 2,5-bis(ethenyl)-4-formyloxolane-3-carboxylic acid.
What is the SMILES notation for 2,5-bis(ethenyl)-4-formyloxolane-3-carboxylic acid?
The canonical SMILES for 2,5-bis(ethenyl)-4-formyloxolane-3-carboxylic acid is C=CC1OC(C=C)C(C(=O)O)C1C=O.
What is the InChIKey of 2,5-bis(ethenyl)-4-formyloxolane-3-carboxylic acid?
The InChIKey is AACFFRVTFZLLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-3-7-6(5-11)9(10(12)13)8(4-2)14-7/h3-9H,1-2H2,(H,12,13).
What are the key properties of 2,5-bis(ethenyl)-4-formyloxolane-3-carboxylic acid?
2,5-bis(ethenyl)-4-formyloxolane-3-carboxylic acid has a molecular weight of 196.20 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(ethenyl)-4-formyloxolane-3-carboxylic acid is sourced from PubChem (CID 58193706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).