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

C7H10O3 — CID 54143816

IUPAC4-but-1-enyl-1,3-dioxolan-2-one
SMILESCCC=CC1COC(=O)O1
InChIInChI=1S/C7H10O3/c1-2-3-4-6-5-9-7(8)10-6/h3-4,6H,2,5H2,1H3
InChIKeyOCXSKCYWQCDQRB-UHFFFAOYSA-N
MW142.15 g/mol
LogP1.49
Rot. Bonds2

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

4-but-1-enyl-1,3-dioxolan-2-one (PubChem CID 54143816) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 4-but-1-enyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-but-1-enyl-1,3-dioxolan-2-one
PubChem CID54143816
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name4-but-1-enyl-1,3-dioxolan-2-one
SMILESCCC=CC1COC(=O)O1
InChIInChI=1S/C7H10O3/c1-2-3-4-6-5-9-7(8)10-6/h3-4,6H,2,5H2,1H3
InChIKeyOCXSKCYWQCDQRB-UHFFFAOYSA-N
XLogP1.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 51.49
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-but-1-enyl-1,3-dioxolan-2-one?
The IUPAC name of 4-but-1-enyl-1,3-dioxolan-2-one (CID 54143816) is 4-but-1-enyl-1,3-dioxolan-2-one.
What is the SMILES notation for 4-but-1-enyl-1,3-dioxolan-2-one?
The canonical SMILES for 4-but-1-enyl-1,3-dioxolan-2-one is CCC=CC1COC(=O)O1.
What is the InChIKey of 4-but-1-enyl-1,3-dioxolan-2-one?
The InChIKey is OCXSKCYWQCDQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-2-3-4-6-5-9-7(8)10-6/h3-4,6H,2,5H2,1H3.
What are the key properties of 4-but-1-enyl-1,3-dioxolan-2-one?
4-but-1-enyl-1,3-dioxolan-2-one has a molecular weight of 142.15 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-1-enyl-1,3-dioxolan-2-one is sourced from PubChem (CID 54143816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).