5-ethenyl-2-[(4-ethylphenyl)methyl]-1,3-dioxane

C15H20O2 — CID 59498898

IUPAC5-ethenyl-2-[(4-ethylphenyl)methyl]-1,3-dioxane
SMILESC=CC1COC(Cc2ccc(CC)cc2)OC1
InChIInChI=1S/C15H20O2/c1-3-12-5-7-14(8-6-12)9-15-16-10-13(4-2)11-17-15/h4-8,13,15H,2-3,9-11H2,1H3
InChIKeyMGYMDPVJYVDNER-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.97
Rot. Bonds4

About 5-ethenyl-2-[(4-ethylphenyl)methyl]-1,3-dioxane

5-ethenyl-2-[(4-ethylphenyl)methyl]-1,3-dioxane (PubChem CID 59498898) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 5-ethenyl-2-[(4-ethylphenyl)methyl]-1,3-dioxane.

Molecular Properties

Compound Name5-ethenyl-2-[(4-ethylphenyl)methyl]-1,3-dioxane
PubChem CID59498898
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name5-ethenyl-2-[(4-ethylphenyl)methyl]-1,3-dioxane
SMILESC=CC1COC(Cc2ccc(CC)cc2)OC1
InChIInChI=1S/C15H20O2/c1-3-12-5-7-14(8-6-12)9-15-16-10-13(4-2)11-17-15/h4-8,13,15H,2-3,9-11H2,1H3
InChIKeyMGYMDPVJYVDNER-UHFFFAOYSA-N
XLogP2.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.97
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 5-ethenyl-2-[(4-ethylphenyl)methyl]-1,3-dioxane?
The IUPAC name of 5-ethenyl-2-[(4-ethylphenyl)methyl]-1,3-dioxane (CID 59498898) is 5-ethenyl-2-[(4-ethylphenyl)methyl]-1,3-dioxane.
What is the SMILES notation for 5-ethenyl-2-[(4-ethylphenyl)methyl]-1,3-dioxane?
The canonical SMILES for 5-ethenyl-2-[(4-ethylphenyl)methyl]-1,3-dioxane is C=CC1COC(Cc2ccc(CC)cc2)OC1.
What is the InChIKey of 5-ethenyl-2-[(4-ethylphenyl)methyl]-1,3-dioxane?
The InChIKey is MGYMDPVJYVDNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-3-12-5-7-14(8-6-12)9-15-16-10-13(4-2)11-17-15/h4-8,13,15H,2-3,9-11H2,1H3.
What are the key properties of 5-ethenyl-2-[(4-ethylphenyl)methyl]-1,3-dioxane?
5-ethenyl-2-[(4-ethylphenyl)methyl]-1,3-dioxane has a molecular weight of 232.32 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-[(4-ethylphenyl)methyl]-1,3-dioxane is sourced from PubChem (CID 59498898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).