2-[(E)-2-methoxy-1-[2-(methoxymethyl)phenyl]ethenyl]-1,3-dioxolane

C14H18O4 — CID 59934417

IUPAC2-[(E)-2-methoxy-1-[2-(methoxymethyl)phenyl]ethenyl]-1,3-dioxolane
SMILESCO/C=C(\c1ccccc1COC)C1OCCO1
InChIInChI=1S/C14H18O4/c1-15-9-11-5-3-4-6-12(11)13(10-16-2)14-17-7-8-18-14/h3-6,10,14H,7-9H2,1-2H3/b13-10+
InChIKeyRIOHHSYPAJNLNO-JLHYYAGUSA-N
MW250.29 g/mol
LogP2.19
Rot. Bonds5

About 2-[(E)-2-methoxy-1-[2-(methoxymethyl)phenyl]ethenyl]-1,3-dioxolane

2-[(E)-2-methoxy-1-[2-(methoxymethyl)phenyl]ethenyl]-1,3-dioxolane (PubChem CID 59934417) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is 2-[(E)-2-methoxy-1-[2-(methoxymethyl)phenyl]ethenyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[(E)-2-methoxy-1-[2-(methoxymethyl)phenyl]ethenyl]-1,3-dioxolane
PubChem CID59934417
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name2-[(E)-2-methoxy-1-[2-(methoxymethyl)phenyl]ethenyl]-1,3-dioxolane
SMILESCO/C=C(\c1ccccc1COC)C1OCCO1
InChIInChI=1S/C14H18O4/c1-15-9-11-5-3-4-6-12(11)13(10-16-2)14-17-7-8-18-14/h3-6,10,14H,7-9H2,1-2H3/b13-10+
InChIKeyRIOHHSYPAJNLNO-JLHYYAGUSA-N
XLogP2.19
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-methoxy-1-[2-(methoxymethyl)phenyl]ethenyl]-1,3-dioxolane?
The IUPAC name of 2-[(E)-2-methoxy-1-[2-(methoxymethyl)phenyl]ethenyl]-1,3-dioxolane (CID 59934417) is 2-[(E)-2-methoxy-1-[2-(methoxymethyl)phenyl]ethenyl]-1,3-dioxolane.
What is the SMILES notation for 2-[(E)-2-methoxy-1-[2-(methoxymethyl)phenyl]ethenyl]-1,3-dioxolane?
The canonical SMILES for 2-[(E)-2-methoxy-1-[2-(methoxymethyl)phenyl]ethenyl]-1,3-dioxolane is CO/C=C(\c1ccccc1COC)C1OCCO1.
What is the InChIKey of 2-[(E)-2-methoxy-1-[2-(methoxymethyl)phenyl]ethenyl]-1,3-dioxolane?
The InChIKey is RIOHHSYPAJNLNO-JLHYYAGUSA-N. The full InChI is InChI=1S/C14H18O4/c1-15-9-11-5-3-4-6-12(11)13(10-16-2)14-17-7-8-18-14/h3-6,10,14H,7-9H2,1-2H3/b13-10+.
What are the key properties of 2-[(E)-2-methoxy-1-[2-(methoxymethyl)phenyl]ethenyl]-1,3-dioxolane?
2-[(E)-2-methoxy-1-[2-(methoxymethyl)phenyl]ethenyl]-1,3-dioxolane has a molecular weight of 250.29 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-methoxy-1-[2-(methoxymethyl)phenyl]ethenyl]-1,3-dioxolane is sourced from PubChem (CID 59934417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).