2-[(E)-2-phenylethenyl]-1,3-dioxolane

C11H12O2 — CID 6284401

IUPAC2-[(E)-2-phenylethenyl]-1,3-dioxolane
SMILESC(=C/C1OCCO1)\c1ccccc1
InChIInChI=1S/C11H12O2/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h1-7,11H,8-9H2/b7-6+
InChIKeyJQLASNFFJHGQTK-VOTSOKGWSA-N
MW176.22 g/mol
LogP2.07
Rot. Bonds2

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

2-[(E)-2-phenylethenyl]-1,3-dioxolane (PubChem CID 6284401) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-[(E)-2-phenylethenyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[(E)-2-phenylethenyl]-1,3-dioxolane
PubChem CID6284401
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name2-[(E)-2-phenylethenyl]-1,3-dioxolane
SMILESC(=C/C1OCCO1)\c1ccccc1
InChIInChI=1S/C11H12O2/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h1-7,11H,8-9H2/b7-6+
InChIKeyJQLASNFFJHGQTK-VOTSOKGWSA-N
XLogP2.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-phenylethenyl]-1,3-dioxolane?
The IUPAC name of 2-[(E)-2-phenylethenyl]-1,3-dioxolane (CID 6284401) is 2-[(E)-2-phenylethenyl]-1,3-dioxolane.
What is the SMILES notation for 2-[(E)-2-phenylethenyl]-1,3-dioxolane?
The canonical SMILES for 2-[(E)-2-phenylethenyl]-1,3-dioxolane is C(=C/C1OCCO1)\c1ccccc1.
What is the InChIKey of 2-[(E)-2-phenylethenyl]-1,3-dioxolane?
The InChIKey is JQLASNFFJHGQTK-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H12O2/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h1-7,11H,8-9H2/b7-6+.
What are the key properties of 2-[(E)-2-phenylethenyl]-1,3-dioxolane?
2-[(E)-2-phenylethenyl]-1,3-dioxolane has a molecular weight of 176.22 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-phenylethenyl]-1,3-dioxolane is sourced from PubChem (CID 6284401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).