2-[(E)-prop-1-enyl]-1,3-dioxolane

C6H10O2 — CID 5369176

IUPAC2-[(E)-prop-1-enyl]-1,3-dioxolane
SMILESC/C=C/C1OCCO1
InChIInChI=1S/C6H10O2/c1-2-3-6-7-4-5-8-6/h2-3,6H,4-5H2,1H3/b3-2+
InChIKeyWJTBAEFOGKJWNP-NSCUHMNNSA-N
MW114.14 g/mol
LogP0.94
Rot. Bonds1

About 2-[(E)-prop-1-enyl]-1,3-dioxolane

2-[(E)-prop-1-enyl]-1,3-dioxolane (PubChem CID 5369176) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 2-[(E)-prop-1-enyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[(E)-prop-1-enyl]-1,3-dioxolane
PubChem CID5369176
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name2-[(E)-prop-1-enyl]-1,3-dioxolane
SMILESC/C=C/C1OCCO1
InChIInChI=1S/C6H10O2/c1-2-3-6-7-4-5-8-6/h2-3,6H,4-5H2,1H3/b3-2+
InChIKeyWJTBAEFOGKJWNP-NSCUHMNNSA-N
XLogP0.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.94
H-Bond Donors ≤ 50
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-[(E)-prop-1-enyl]-1,3-dioxolane?
The IUPAC name of 2-[(E)-prop-1-enyl]-1,3-dioxolane (CID 5369176) is 2-[(E)-prop-1-enyl]-1,3-dioxolane.
What is the SMILES notation for 2-[(E)-prop-1-enyl]-1,3-dioxolane?
The canonical SMILES for 2-[(E)-prop-1-enyl]-1,3-dioxolane is C/C=C/C1OCCO1.
What is the InChIKey of 2-[(E)-prop-1-enyl]-1,3-dioxolane?
The InChIKey is WJTBAEFOGKJWNP-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H10O2/c1-2-3-6-7-4-5-8-6/h2-3,6H,4-5H2,1H3/b3-2+.
What are the key properties of 2-[(E)-prop-1-enyl]-1,3-dioxolane?
2-[(E)-prop-1-enyl]-1,3-dioxolane has a molecular weight of 114.14 g/mol, XLogP of 0.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-prop-1-enyl]-1,3-dioxolane is sourced from PubChem (CID 5369176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).