2-(3-phenyloxiran-2-yl)-1,3-dioxolane

C11H12O3 — CID 15785878

IUPAC2-(3-phenyloxiran-2-yl)-1,3-dioxolane
SMILESc1ccc(C2OC2C2OCCO2)cc1
InChIInChI=1S/C11H12O3/c1-2-4-8(5-3-1)9-10(14-9)11-12-6-7-13-11/h1-5,9-11H,6-7H2
InChIKeyROKBWEFRLPISJL-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.50
Rot. Bonds2

About 2-(3-phenyloxiran-2-yl)-1,3-dioxolane

2-(3-phenyloxiran-2-yl)-1,3-dioxolane (PubChem CID 15785878) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 2-(3-phenyloxiran-2-yl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(3-phenyloxiran-2-yl)-1,3-dioxolane
PubChem CID15785878
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name2-(3-phenyloxiran-2-yl)-1,3-dioxolane
SMILESc1ccc(C2OC2C2OCCO2)cc1
InChIInChI=1S/C11H12O3/c1-2-4-8(5-3-1)9-10(14-9)11-12-6-7-13-11/h1-5,9-11H,6-7H2
InChIKeyROKBWEFRLPISJL-UHFFFAOYSA-N
XLogP1.50
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenyloxiran-2-yl)-1,3-dioxolane?
The IUPAC name of 2-(3-phenyloxiran-2-yl)-1,3-dioxolane (CID 15785878) is 2-(3-phenyloxiran-2-yl)-1,3-dioxolane.
What is the SMILES notation for 2-(3-phenyloxiran-2-yl)-1,3-dioxolane?
The canonical SMILES for 2-(3-phenyloxiran-2-yl)-1,3-dioxolane is c1ccc(C2OC2C2OCCO2)cc1.
What is the InChIKey of 2-(3-phenyloxiran-2-yl)-1,3-dioxolane?
The InChIKey is ROKBWEFRLPISJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-2-4-8(5-3-1)9-10(14-9)11-12-6-7-13-11/h1-5,9-11H,6-7H2.
What are the key properties of 2-(3-phenyloxiran-2-yl)-1,3-dioxolane?
2-(3-phenyloxiran-2-yl)-1,3-dioxolane has a molecular weight of 192.21 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenyloxiran-2-yl)-1,3-dioxolane is sourced from PubChem (CID 15785878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).