2,4,5-tris(prop-1-en-2-yl)-1,3-dioxolane

C12H18O2 — CID 154108108

IUPAC2,4,5-tris(prop-1-en-2-yl)-1,3-dioxolane
SMILESC=C(C)C1OC(C(=C)C)C(C(=C)C)O1
InChIInChI=1S/C12H18O2/c1-7(2)10-11(8(3)4)14-12(13-10)9(5)6/h10-12H,1,3,5H2,2,4,6H3
InChIKeyFPQDCNRNWNZPHA-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.82
Rot. Bonds3

About 2,4,5-tris(prop-1-en-2-yl)-1,3-dioxolane

2,4,5-tris(prop-1-en-2-yl)-1,3-dioxolane (PubChem CID 154108108) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 2,4,5-tris(prop-1-en-2-yl)-1,3-dioxolane.

Molecular Properties

Compound Name2,4,5-tris(prop-1-en-2-yl)-1,3-dioxolane
PubChem CID154108108
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name2,4,5-tris(prop-1-en-2-yl)-1,3-dioxolane
SMILESC=C(C)C1OC(C(=C)C)C(C(=C)C)O1
InChIInChI=1S/C12H18O2/c1-7(2)10-11(8(3)4)14-12(13-10)9(5)6/h10-12H,1,3,5H2,2,4,6H3
InChIKeyFPQDCNRNWNZPHA-UHFFFAOYSA-N
XLogP2.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.82
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 2,4,5-tris(prop-1-en-2-yl)-1,3-dioxolane?
The IUPAC name of 2,4,5-tris(prop-1-en-2-yl)-1,3-dioxolane (CID 154108108) is 2,4,5-tris(prop-1-en-2-yl)-1,3-dioxolane.
What is the SMILES notation for 2,4,5-tris(prop-1-en-2-yl)-1,3-dioxolane?
The canonical SMILES for 2,4,5-tris(prop-1-en-2-yl)-1,3-dioxolane is C=C(C)C1OC(C(=C)C)C(C(=C)C)O1.
What is the InChIKey of 2,4,5-tris(prop-1-en-2-yl)-1,3-dioxolane?
The InChIKey is FPQDCNRNWNZPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-7(2)10-11(8(3)4)14-12(13-10)9(5)6/h10-12H,1,3,5H2,2,4,6H3.
What are the key properties of 2,4,5-tris(prop-1-en-2-yl)-1,3-dioxolane?
2,4,5-tris(prop-1-en-2-yl)-1,3-dioxolane has a molecular weight of 194.27 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-tris(prop-1-en-2-yl)-1,3-dioxolane is sourced from PubChem (CID 154108108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).