4-prop-2-enyl-1,3-dioxolan-2-one

C6H8O3 — CID 18702129

IUPAC4-prop-2-enyl-1,3-dioxolan-2-one
SMILESC=CCC1COC(=O)O1
InChIInChI=1S/C6H8O3/c1-2-3-5-4-8-6(7)9-5/h2,5H,1,3-4H2
InChIKeyUBYRBSCRCKTBDD-UHFFFAOYSA-N
MW128.13 g/mol
LogP1.10
Rot. Bonds2

About 4-prop-2-enyl-1,3-dioxolan-2-one

4-prop-2-enyl-1,3-dioxolan-2-one (PubChem CID 18702129) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is 4-prop-2-enyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-prop-2-enyl-1,3-dioxolan-2-one
PubChem CID18702129
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Name4-prop-2-enyl-1,3-dioxolan-2-one
SMILESC=CCC1COC(=O)O1
InChIInChI=1S/C6H8O3/c1-2-3-5-4-8-6(7)9-5/h2,5H,1,3-4H2
InChIKeyUBYRBSCRCKTBDD-UHFFFAOYSA-N
XLogP1.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 51.10
H-Bond Donors ≤ 50
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-prop-2-enyl-1,3-dioxolan-2-one?
The IUPAC name of 4-prop-2-enyl-1,3-dioxolan-2-one (CID 18702129) is 4-prop-2-enyl-1,3-dioxolan-2-one.
What is the SMILES notation for 4-prop-2-enyl-1,3-dioxolan-2-one?
The canonical SMILES for 4-prop-2-enyl-1,3-dioxolan-2-one is C=CCC1COC(=O)O1.
What is the InChIKey of 4-prop-2-enyl-1,3-dioxolan-2-one?
The InChIKey is UBYRBSCRCKTBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O3/c1-2-3-5-4-8-6(7)9-5/h2,5H,1,3-4H2.
What are the key properties of 4-prop-2-enyl-1,3-dioxolan-2-one?
4-prop-2-enyl-1,3-dioxolan-2-one has a molecular weight of 128.13 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enyl-1,3-dioxolan-2-one is sourced from PubChem (CID 18702129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).