4-tert-butyl-6-ethenyl-1,3-dioxane

C10H18O2 — CID 85290655

IUPAC4-tert-butyl-6-ethenyl-1,3-dioxane
SMILESC=CC1CC(C(C)(C)C)OCO1
InChIInChI=1S/C10H18O2/c1-5-8-6-9(10(2,3)4)12-7-11-8/h5,8-9H,1,6-7H2,2-4H3
InChIKeyOFPIKGWGTJPDPK-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.35
Rot. Bonds1

About 4-tert-butyl-6-ethenyl-1,3-dioxane

4-tert-butyl-6-ethenyl-1,3-dioxane (PubChem CID 85290655) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 4-tert-butyl-6-ethenyl-1,3-dioxane.

Molecular Properties

Compound Name4-tert-butyl-6-ethenyl-1,3-dioxane
PubChem CID85290655
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name4-tert-butyl-6-ethenyl-1,3-dioxane
SMILESC=CC1CC(C(C)(C)C)OCO1
InChIInChI=1S/C10H18O2/c1-5-8-6-9(10(2,3)4)12-7-11-8/h5,8-9H,1,6-7H2,2-4H3
InChIKeyOFPIKGWGTJPDPK-UHFFFAOYSA-N
XLogP2.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-tert-butyl-6-ethenyl-1,3-dioxane 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 4-tert-butyl-6-ethenyl-1,3-dioxane?
The IUPAC name of 4-tert-butyl-6-ethenyl-1,3-dioxane (CID 85290655) is 4-tert-butyl-6-ethenyl-1,3-dioxane.
What is the SMILES notation for 4-tert-butyl-6-ethenyl-1,3-dioxane?
The canonical SMILES for 4-tert-butyl-6-ethenyl-1,3-dioxane is C=CC1CC(C(C)(C)C)OCO1.
What is the InChIKey of 4-tert-butyl-6-ethenyl-1,3-dioxane?
The InChIKey is OFPIKGWGTJPDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-5-8-6-9(10(2,3)4)12-7-11-8/h5,8-9H,1,6-7H2,2-4H3.
What are the key properties of 4-tert-butyl-6-ethenyl-1,3-dioxane?
4-tert-butyl-6-ethenyl-1,3-dioxane has a molecular weight of 170.25 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-ethenyl-1,3-dioxane is sourced from PubChem (CID 85290655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).