2-(3,3-dimethylcyclohexen-1-yl)-2,5-dimethyl-1,3-dioxane

C14H24O2 — CID 121417453

IUPAC2-(3,3-dimethylcyclohexen-1-yl)-2,5-dimethyl-1,3-dioxane
SMILESCC1COC(C)(C2=CC(C)(C)CCC2)OC1
InChIInChI=1S/C14H24O2/c1-11-9-15-14(4,16-10-11)12-6-5-7-13(2,3)8-12/h8,11H,5-7,9-10H2,1-4H3
InChIKeyRAEMEFHPGFURGW-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.52
Rot. Bonds1

About 2-(3,3-dimethylcyclohexen-1-yl)-2,5-dimethyl-1,3-dioxane

2-(3,3-dimethylcyclohexen-1-yl)-2,5-dimethyl-1,3-dioxane (PubChem CID 121417453) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2-(3,3-dimethylcyclohexen-1-yl)-2,5-dimethyl-1,3-dioxane.

Molecular Properties

Compound Name2-(3,3-dimethylcyclohexen-1-yl)-2,5-dimethyl-1,3-dioxane
PubChem CID121417453
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2-(3,3-dimethylcyclohexen-1-yl)-2,5-dimethyl-1,3-dioxane
SMILESCC1COC(C)(C2=CC(C)(C)CCC2)OC1
InChIInChI=1S/C14H24O2/c1-11-9-15-14(4,16-10-11)12-6-5-7-13(2,3)8-12/h8,11H,5-7,9-10H2,1-4H3
InChIKeyRAEMEFHPGFURGW-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3,3-dimethylcyclohexen-1-yl)-2,5-dimethyl-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 2-(3,3-dimethylcyclohexen-1-yl)-2,5-dimethyl-1,3-dioxane?
The IUPAC name of 2-(3,3-dimethylcyclohexen-1-yl)-2,5-dimethyl-1,3-dioxane (CID 121417453) is 2-(3,3-dimethylcyclohexen-1-yl)-2,5-dimethyl-1,3-dioxane.
What is the SMILES notation for 2-(3,3-dimethylcyclohexen-1-yl)-2,5-dimethyl-1,3-dioxane?
The canonical SMILES for 2-(3,3-dimethylcyclohexen-1-yl)-2,5-dimethyl-1,3-dioxane is CC1COC(C)(C2=CC(C)(C)CCC2)OC1.
What is the InChIKey of 2-(3,3-dimethylcyclohexen-1-yl)-2,5-dimethyl-1,3-dioxane?
The InChIKey is RAEMEFHPGFURGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-11-9-15-14(4,16-10-11)12-6-5-7-13(2,3)8-12/h8,11H,5-7,9-10H2,1-4H3.
What are the key properties of 2-(3,3-dimethylcyclohexen-1-yl)-2,5-dimethyl-1,3-dioxane?
2-(3,3-dimethylcyclohexen-1-yl)-2,5-dimethyl-1,3-dioxane has a molecular weight of 224.34 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylcyclohexen-1-yl)-2,5-dimethyl-1,3-dioxane is sourced from PubChem (CID 121417453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).