2,3-bis(prop-2-enyl)oxolane-3-carboxylic acid

C11H16O3 — CID 70559116

IUPAC2,3-bis(prop-2-enyl)oxolane-3-carboxylic acid
SMILESC=CCC1OCCC1(CC=C)C(=O)O
InChIInChI=1S/C11H16O3/c1-3-5-9-11(6-4-2,10(12)13)7-8-14-9/h3-4,9H,1-2,5-8H2,(H,12,13)
InChIKeyXAUVTSARDMLEHJ-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.00
Rot. Bonds5

About 2,3-bis(prop-2-enyl)oxolane-3-carboxylic acid

2,3-bis(prop-2-enyl)oxolane-3-carboxylic acid (PubChem CID 70559116) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2,3-bis(prop-2-enyl)oxolane-3-carboxylic acid.

Molecular Properties

Compound Name2,3-bis(prop-2-enyl)oxolane-3-carboxylic acid
PubChem CID70559116
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name2,3-bis(prop-2-enyl)oxolane-3-carboxylic acid
SMILESC=CCC1OCCC1(CC=C)C(=O)O
InChIInChI=1S/C11H16O3/c1-3-5-9-11(6-4-2,10(12)13)7-8-14-9/h3-4,9H,1-2,5-8H2,(H,12,13)
InChIKeyXAUVTSARDMLEHJ-UHFFFAOYSA-N
XLogP2.00
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(prop-2-enyl)oxolane-3-carboxylic acid?
The IUPAC name of 2,3-bis(prop-2-enyl)oxolane-3-carboxylic acid (CID 70559116) is 2,3-bis(prop-2-enyl)oxolane-3-carboxylic acid.
What is the SMILES notation for 2,3-bis(prop-2-enyl)oxolane-3-carboxylic acid?
The canonical SMILES for 2,3-bis(prop-2-enyl)oxolane-3-carboxylic acid is C=CCC1OCCC1(CC=C)C(=O)O.
What is the InChIKey of 2,3-bis(prop-2-enyl)oxolane-3-carboxylic acid?
The InChIKey is XAUVTSARDMLEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-3-5-9-11(6-4-2,10(12)13)7-8-14-9/h3-4,9H,1-2,5-8H2,(H,12,13).
What are the key properties of 2,3-bis(prop-2-enyl)oxolane-3-carboxylic acid?
2,3-bis(prop-2-enyl)oxolane-3-carboxylic acid has a molecular weight of 196.25 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(prop-2-enyl)oxolane-3-carboxylic acid is sourced from PubChem (CID 70559116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).