2-(1,3-dioxolan-2-yl)-3-prop-2-enyl-1,4-dioxine

C10H12O4 — CID 174250812

IUPAC2-(1,3-dioxolan-2-yl)-3-prop-2-enyl-1,4-dioxine
SMILESC=CCC1=C(C2OCCO2)OC=CO1
InChIInChI=1S/C10H12O4/c1-2-3-8-9(12-5-4-11-8)10-13-6-7-14-10/h2,4-5,10H,1,3,6-7H2
InChIKeyNANMBHOZKAGXLF-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.66
Rot. Bonds3

About 2-(1,3-dioxolan-2-yl)-3-prop-2-enyl-1,4-dioxine

2-(1,3-dioxolan-2-yl)-3-prop-2-enyl-1,4-dioxine (PubChem CID 174250812) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-yl)-3-prop-2-enyl-1,4-dioxine.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-yl)-3-prop-2-enyl-1,4-dioxine
PubChem CID174250812
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name2-(1,3-dioxolan-2-yl)-3-prop-2-enyl-1,4-dioxine
SMILESC=CCC1=C(C2OCCO2)OC=CO1
InChIInChI=1S/C10H12O4/c1-2-3-8-9(12-5-4-11-8)10-13-6-7-14-10/h2,4-5,10H,1,3,6-7H2
InChIKeyNANMBHOZKAGXLF-UHFFFAOYSA-N
XLogP1.66
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(1,3-dioxolan-2-yl)-3-prop-2-enyl-1,4-dioxine?
The IUPAC name of 2-(1,3-dioxolan-2-yl)-3-prop-2-enyl-1,4-dioxine (CID 174250812) is 2-(1,3-dioxolan-2-yl)-3-prop-2-enyl-1,4-dioxine.
What is the SMILES notation for 2-(1,3-dioxolan-2-yl)-3-prop-2-enyl-1,4-dioxine?
The canonical SMILES for 2-(1,3-dioxolan-2-yl)-3-prop-2-enyl-1,4-dioxine is C=CCC1=C(C2OCCO2)OC=CO1.
What is the InChIKey of 2-(1,3-dioxolan-2-yl)-3-prop-2-enyl-1,4-dioxine?
The InChIKey is NANMBHOZKAGXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-2-3-8-9(12-5-4-11-8)10-13-6-7-14-10/h2,4-5,10H,1,3,6-7H2.
What are the key properties of 2-(1,3-dioxolan-2-yl)-3-prop-2-enyl-1,4-dioxine?
2-(1,3-dioxolan-2-yl)-3-prop-2-enyl-1,4-dioxine has a molecular weight of 196.20 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-2-yl)-3-prop-2-enyl-1,4-dioxine is sourced from PubChem (CID 174250812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).