5-[(E)-2-(1,3-dioxolan-2-yl)ethenyl]-2,2-dimethyl-1,3-benzodioxole

C14H16O4 — CID 11694464

IUPAC5-[(E)-2-(1,3-dioxolan-2-yl)ethenyl]-2,2-dimethyl-1,3-benzodioxole
SMILESCC1(C)Oc2ccc(/C=C/C3OCCO3)cc2O1
InChIInChI=1S/C14H16O4/c1-14(2)17-11-5-3-10(9-12(11)18-14)4-6-13-15-7-8-16-13/h3-6,9,13H,7-8H2,1-2H3/b6-4+
InChIKeySSVSLHKJEVPEHN-GQCTYLIASA-N
MW248.28 g/mol
LogP2.58
Rot. Bonds2

About 5-[(E)-2-(1,3-dioxolan-2-yl)ethenyl]-2,2-dimethyl-1,3-benzodioxole

5-[(E)-2-(1,3-dioxolan-2-yl)ethenyl]-2,2-dimethyl-1,3-benzodioxole (PubChem CID 11694464) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is 5-[(E)-2-(1,3-dioxolan-2-yl)ethenyl]-2,2-dimethyl-1,3-benzodioxole.

Molecular Properties

Compound Name5-[(E)-2-(1,3-dioxolan-2-yl)ethenyl]-2,2-dimethyl-1,3-benzodioxole
PubChem CID11694464
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Name5-[(E)-2-(1,3-dioxolan-2-yl)ethenyl]-2,2-dimethyl-1,3-benzodioxole
SMILESCC1(C)Oc2ccc(/C=C/C3OCCO3)cc2O1
InChIInChI=1S/C14H16O4/c1-14(2)17-11-5-3-10(9-12(11)18-14)4-6-13-15-7-8-16-13/h3-6,9,13H,7-8H2,1-2H3/b6-4+
InChIKeySSVSLHKJEVPEHN-GQCTYLIASA-N
XLogP2.58
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[(E)-2-(1,3-dioxolan-2-yl)ethenyl]-2,2-dimethyl-1,3-benzodioxole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(1,3-dioxolan-2-yl)ethenyl]-2,2-dimethyl-1,3-benzodioxole?
The IUPAC name of 5-[(E)-2-(1,3-dioxolan-2-yl)ethenyl]-2,2-dimethyl-1,3-benzodioxole (CID 11694464) is 5-[(E)-2-(1,3-dioxolan-2-yl)ethenyl]-2,2-dimethyl-1,3-benzodioxole.
What is the SMILES notation for 5-[(E)-2-(1,3-dioxolan-2-yl)ethenyl]-2,2-dimethyl-1,3-benzodioxole?
The canonical SMILES for 5-[(E)-2-(1,3-dioxolan-2-yl)ethenyl]-2,2-dimethyl-1,3-benzodioxole is CC1(C)Oc2ccc(/C=C/C3OCCO3)cc2O1.
What is the InChIKey of 5-[(E)-2-(1,3-dioxolan-2-yl)ethenyl]-2,2-dimethyl-1,3-benzodioxole?
The InChIKey is SSVSLHKJEVPEHN-GQCTYLIASA-N. The full InChI is InChI=1S/C14H16O4/c1-14(2)17-11-5-3-10(9-12(11)18-14)4-6-13-15-7-8-16-13/h3-6,9,13H,7-8H2,1-2H3/b6-4+.
What are the key properties of 5-[(E)-2-(1,3-dioxolan-2-yl)ethenyl]-2,2-dimethyl-1,3-benzodioxole?
5-[(E)-2-(1,3-dioxolan-2-yl)ethenyl]-2,2-dimethyl-1,3-benzodioxole has a molecular weight of 248.28 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(1,3-dioxolan-2-yl)ethenyl]-2,2-dimethyl-1,3-benzodioxole is sourced from PubChem (CID 11694464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).