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

C16H28O2 — CID 3115173

IUPAC4,4,6-trimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxane
SMILESCC1=CC(C)C(C2OC(C)CC(C)(C)O2)C(C)C1
InChIInChI=1S/C16H28O2/c1-10-7-11(2)14(12(3)8-10)15-17-13(4)9-16(5,6)18-15/h7,11-15H,8-9H2,1-6H3
InChIKeyLLZPBVFDZAVNIP-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.15
Rot. Bonds1

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

4,4,6-trimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxane (PubChem CID 3115173) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 4,4,6-trimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxane.

Molecular Properties

Compound Name4,4,6-trimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxane
PubChem CID3115173
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name4,4,6-trimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxane
SMILESCC1=CC(C)C(C2OC(C)CC(C)(C)O2)C(C)C1
InChIInChI=1S/C16H28O2/c1-10-7-11(2)14(12(3)8-10)15-17-13(4)9-16(5,6)18-15/h7,11-15H,8-9H2,1-6H3
InChIKeyLLZPBVFDZAVNIP-UHFFFAOYSA-N
XLogP4.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.15
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 4,4,6-trimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxane?
The IUPAC name of 4,4,6-trimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxane (CID 3115173) is 4,4,6-trimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxane.
What is the SMILES notation for 4,4,6-trimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxane?
The canonical SMILES for 4,4,6-trimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxane is CC1=CC(C)C(C2OC(C)CC(C)(C)O2)C(C)C1.
What is the InChIKey of 4,4,6-trimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxane?
The InChIKey is LLZPBVFDZAVNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-10-7-11(2)14(12(3)8-10)15-17-13(4)9-16(5,6)18-15/h7,11-15H,8-9H2,1-6H3.
What are the key properties of 4,4,6-trimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxane?
4,4,6-trimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxane has a molecular weight of 252.40 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6-trimethyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxane is sourced from PubChem (CID 3115173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).