5,5-dimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxane

C15H26O2 — CID 4183772

IUPAC5,5-dimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxane
SMILESCC1=CC(C)C(C2OCC(C)(C)CO2)C(C)C1
InChIInChI=1S/C15H26O2/c1-10-6-11(2)13(12(3)7-10)14-16-8-15(4,5)9-17-14/h6,11-14H,7-9H2,1-5H3
InChIKeyLBGGUVCPIQFOJE-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.62
Rot. Bonds1

About 5,5-dimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxane

5,5-dimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxane (PubChem CID 4183772) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 5,5-dimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxane.

Molecular Properties

Compound Name5,5-dimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxane
PubChem CID4183772
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name5,5-dimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxane
SMILESCC1=CC(C)C(C2OCC(C)(C)CO2)C(C)C1
InChIInChI=1S/C15H26O2/c1-10-6-11(2)13(12(3)7-10)14-16-8-15(4,5)9-17-14/h6,11-14H,7-9H2,1-5H3
InChIKeyLBGGUVCPIQFOJE-UHFFFAOYSA-N
XLogP3.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.62
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 5,5-dimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxane?
The IUPAC name of 5,5-dimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxane (CID 4183772) is 5,5-dimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxane.
What is the SMILES notation for 5,5-dimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxane?
The canonical SMILES for 5,5-dimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxane is CC1=CC(C)C(C2OCC(C)(C)CO2)C(C)C1.
What is the InChIKey of 5,5-dimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxane?
The InChIKey is LBGGUVCPIQFOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-10-6-11(2)13(12(3)7-10)14-16-8-15(4,5)9-17-14/h6,11-14H,7-9H2,1-5H3.
What are the key properties of 5,5-dimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxane?
5,5-dimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxane has a molecular weight of 238.37 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxane is sourced from PubChem (CID 4183772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).