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

C14H24O2 — CID 3115172

IUPAC4-methyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxane
SMILESCC1=CC(C)C(C2OCCC(C)O2)C(C)C1
InChIInChI=1S/C14H24O2/c1-9-7-10(2)13(11(3)8-9)14-15-6-5-12(4)16-14/h7,10-14H,5-6,8H2,1-4H3
InChIKeyATFSHVJXFUUWIV-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.38
Rot. Bonds1

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

4-methyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxane (PubChem CID 3115172) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 4-methyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxane.

Molecular Properties

Compound Name4-methyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxane
PubChem CID3115172
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name4-methyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxane
SMILESCC1=CC(C)C(C2OCCC(C)O2)C(C)C1
InChIInChI=1S/C14H24O2/c1-9-7-10(2)13(11(3)8-9)14-15-6-5-12(4)16-14/h7,10-14H,5-6,8H2,1-4H3
InChIKeyATFSHVJXFUUWIV-UHFFFAOYSA-N
XLogP3.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.38
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-methyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxane?
The IUPAC name of 4-methyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxane (CID 3115172) is 4-methyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxane.
What is the SMILES notation for 4-methyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxane?
The canonical SMILES for 4-methyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxane is CC1=CC(C)C(C2OCCC(C)O2)C(C)C1.
What is the InChIKey of 4-methyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxane?
The InChIKey is ATFSHVJXFUUWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-9-7-10(2)13(11(3)8-9)14-15-6-5-12(4)16-14/h7,10-14H,5-6,8H2,1-4H3.
What are the key properties of 4-methyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxane?
4-methyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxane has a molecular weight of 224.34 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2,4,6-trimethylcyclohex-3-en-1-yl)-1,3-dioxane is sourced from PubChem (CID 3115172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).