4-ethenyl-5,5-dimethyl-2-phenyl-1,3-dioxane

C14H18O2 — CID 68896314

IUPAC4-ethenyl-5,5-dimethyl-2-phenyl-1,3-dioxane
SMILESC=CC1OC(c2ccccc2)OCC1(C)C
InChIInChI=1S/C14H18O2/c1-4-12-14(2,3)10-15-13(16-12)11-8-6-5-7-9-11/h4-9,12-13H,1,10H2,2-3H3
InChIKeyQPJOKDHGAXVLFH-UHFFFAOYSA-N
MW218.30 g/mol
LogP3.31
Rot. Bonds2

About 4-ethenyl-5,5-dimethyl-2-phenyl-1,3-dioxane

4-ethenyl-5,5-dimethyl-2-phenyl-1,3-dioxane (PubChem CID 68896314) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-ethenyl-5,5-dimethyl-2-phenyl-1,3-dioxane.

Molecular Properties

Compound Name4-ethenyl-5,5-dimethyl-2-phenyl-1,3-dioxane
PubChem CID68896314
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name4-ethenyl-5,5-dimethyl-2-phenyl-1,3-dioxane
SMILESC=CC1OC(c2ccccc2)OCC1(C)C
InChIInChI=1S/C14H18O2/c1-4-12-14(2,3)10-15-13(16-12)11-8-6-5-7-9-11/h4-9,12-13H,1,10H2,2-3H3
InChIKeyQPJOKDHGAXVLFH-UHFFFAOYSA-N
XLogP3.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.31
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 4-ethenyl-5,5-dimethyl-2-phenyl-1,3-dioxane?
The IUPAC name of 4-ethenyl-5,5-dimethyl-2-phenyl-1,3-dioxane (CID 68896314) is 4-ethenyl-5,5-dimethyl-2-phenyl-1,3-dioxane.
What is the SMILES notation for 4-ethenyl-5,5-dimethyl-2-phenyl-1,3-dioxane?
The canonical SMILES for 4-ethenyl-5,5-dimethyl-2-phenyl-1,3-dioxane is C=CC1OC(c2ccccc2)OCC1(C)C.
What is the InChIKey of 4-ethenyl-5,5-dimethyl-2-phenyl-1,3-dioxane?
The InChIKey is QPJOKDHGAXVLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-4-12-14(2,3)10-15-13(16-12)11-8-6-5-7-9-11/h4-9,12-13H,1,10H2,2-3H3.
What are the key properties of 4-ethenyl-5,5-dimethyl-2-phenyl-1,3-dioxane?
4-ethenyl-5,5-dimethyl-2-phenyl-1,3-dioxane has a molecular weight of 218.30 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-5,5-dimethyl-2-phenyl-1,3-dioxane is sourced from PubChem (CID 68896314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).