4-ethenyl-2-prop-2-enyl-1,3-dioxolan-2-ol

C8H12O3 — CID 87747392

IUPAC4-ethenyl-2-prop-2-enyl-1,3-dioxolan-2-ol
SMILESC=CCC1(O)OCC(C=C)O1
InChIInChI=1S/C8H12O3/c1-3-5-8(9)10-6-7(4-2)11-8/h3-4,7,9H,1-2,5-6H2
InChIKeyCAZCYBHIBXHZQS-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.81
Rot. Bonds3

About 4-ethenyl-2-prop-2-enyl-1,3-dioxolan-2-ol

4-ethenyl-2-prop-2-enyl-1,3-dioxolan-2-ol (PubChem CID 87747392) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 4-ethenyl-2-prop-2-enyl-1,3-dioxolan-2-ol.

Molecular Properties

Compound Name4-ethenyl-2-prop-2-enyl-1,3-dioxolan-2-ol
PubChem CID87747392
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name4-ethenyl-2-prop-2-enyl-1,3-dioxolan-2-ol
SMILESC=CCC1(O)OCC(C=C)O1
InChIInChI=1S/C8H12O3/c1-3-5-8(9)10-6-7(4-2)11-8/h3-4,7,9H,1-2,5-6H2
InChIKeyCAZCYBHIBXHZQS-UHFFFAOYSA-N
XLogP0.81
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-ethenyl-2-prop-2-enyl-1,3-dioxolan-2-ol?
The IUPAC name of 4-ethenyl-2-prop-2-enyl-1,3-dioxolan-2-ol (CID 87747392) is 4-ethenyl-2-prop-2-enyl-1,3-dioxolan-2-ol.
What is the SMILES notation for 4-ethenyl-2-prop-2-enyl-1,3-dioxolan-2-ol?
The canonical SMILES for 4-ethenyl-2-prop-2-enyl-1,3-dioxolan-2-ol is C=CCC1(O)OCC(C=C)O1.
What is the InChIKey of 4-ethenyl-2-prop-2-enyl-1,3-dioxolan-2-ol?
The InChIKey is CAZCYBHIBXHZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-3-5-8(9)10-6-7(4-2)11-8/h3-4,7,9H,1-2,5-6H2.
What are the key properties of 4-ethenyl-2-prop-2-enyl-1,3-dioxolan-2-ol?
4-ethenyl-2-prop-2-enyl-1,3-dioxolan-2-ol has a molecular weight of 156.18 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-prop-2-enyl-1,3-dioxolan-2-ol is sourced from PubChem (CID 87747392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).