6-ethenyl-5-ethyl-6-methyl-3-naphthalen-1-yl-1,2,4-trioxane

C18H20O3 — CID 134928662

IUPAC6-ethenyl-5-ethyl-6-methyl-3-naphthalen-1-yl-1,2,4-trioxane
SMILESC=CC1(C)OOC(c2cccc3ccccc23)OC1CC
InChIInChI=1S/C18H20O3/c1-4-16-18(3,5-2)21-20-17(19-16)15-12-8-10-13-9-6-7-11-14(13)15/h5-12,16-17H,2,4H2,1,3H3
InChIKeyVFTLTNLMONIXSX-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.54
Rot. Bonds3

About 6-ethenyl-5-ethyl-6-methyl-3-naphthalen-1-yl-1,2,4-trioxane

6-ethenyl-5-ethyl-6-methyl-3-naphthalen-1-yl-1,2,4-trioxane (PubChem CID 134928662) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 6-ethenyl-5-ethyl-6-methyl-3-naphthalen-1-yl-1,2,4-trioxane.

Molecular Properties

Compound Name6-ethenyl-5-ethyl-6-methyl-3-naphthalen-1-yl-1,2,4-trioxane
PubChem CID134928662
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name6-ethenyl-5-ethyl-6-methyl-3-naphthalen-1-yl-1,2,4-trioxane
SMILESC=CC1(C)OOC(c2cccc3ccccc23)OC1CC
InChIInChI=1S/C18H20O3/c1-4-16-18(3,5-2)21-20-17(19-16)15-12-8-10-13-9-6-7-11-14(13)15/h5-12,16-17H,2,4H2,1,3H3
InChIKeyVFTLTNLMONIXSX-UHFFFAOYSA-N
XLogP4.54
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-5-ethyl-6-methyl-3-naphthalen-1-yl-1,2,4-trioxane?
The IUPAC name of 6-ethenyl-5-ethyl-6-methyl-3-naphthalen-1-yl-1,2,4-trioxane (CID 134928662) is 6-ethenyl-5-ethyl-6-methyl-3-naphthalen-1-yl-1,2,4-trioxane.
What is the SMILES notation for 6-ethenyl-5-ethyl-6-methyl-3-naphthalen-1-yl-1,2,4-trioxane?
The canonical SMILES for 6-ethenyl-5-ethyl-6-methyl-3-naphthalen-1-yl-1,2,4-trioxane is C=CC1(C)OOC(c2cccc3ccccc23)OC1CC.
What is the InChIKey of 6-ethenyl-5-ethyl-6-methyl-3-naphthalen-1-yl-1,2,4-trioxane?
The InChIKey is VFTLTNLMONIXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c1-4-16-18(3,5-2)21-20-17(19-16)15-12-8-10-13-9-6-7-11-14(13)15/h5-12,16-17H,2,4H2,1,3H3.
What are the key properties of 6-ethenyl-5-ethyl-6-methyl-3-naphthalen-1-yl-1,2,4-trioxane?
6-ethenyl-5-ethyl-6-methyl-3-naphthalen-1-yl-1,2,4-trioxane has a molecular weight of 284.36 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-5-ethyl-6-methyl-3-naphthalen-1-yl-1,2,4-trioxane is sourced from PubChem (CID 134928662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).