2-(3,5-dimethylcyclohexyl)-5-methyl-5-propyl-1,3-dioxane

C16H30O2 — CID 19803379

IUPAC2-(3,5-dimethylcyclohexyl)-5-methyl-5-propyl-1,3-dioxane
SMILESCCCC1(C)COC(C2CC(C)CC(C)C2)OC1
InChIInChI=1S/C16H30O2/c1-5-6-16(4)10-17-15(18-11-16)14-8-12(2)7-13(3)9-14/h12-15H,5-11H2,1-4H3
InChIKeyYWFDNHISPWSGAZ-UHFFFAOYSA-N
MW254.41 g/mol
LogP4.24
Rot. Bonds3

About 2-(3,5-dimethylcyclohexyl)-5-methyl-5-propyl-1,3-dioxane

2-(3,5-dimethylcyclohexyl)-5-methyl-5-propyl-1,3-dioxane (PubChem CID 19803379) has the molecular formula C16H30O2 and a molecular weight of 254.41 g/mol. Its IUPAC name is 2-(3,5-dimethylcyclohexyl)-5-methyl-5-propyl-1,3-dioxane.

Molecular Properties

Compound Name2-(3,5-dimethylcyclohexyl)-5-methyl-5-propyl-1,3-dioxane
PubChem CID19803379
Molecular FormulaC16H30O2
Molecular Weight254.41 g/mol
Exact Mass254.22
IUPAC Name2-(3,5-dimethylcyclohexyl)-5-methyl-5-propyl-1,3-dioxane
SMILESCCCC1(C)COC(C2CC(C)CC(C)C2)OC1
InChIInChI=1S/C16H30O2/c1-5-6-16(4)10-17-15(18-11-16)14-8-12(2)7-13(3)9-14/h12-15H,5-11H2,1-4H3
InChIKeyYWFDNHISPWSGAZ-UHFFFAOYSA-N
XLogP4.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.41
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3,5-dimethylcyclohexyl)-5-methyl-5-propyl-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-(3,5-dimethylcyclohexyl)-5-methyl-5-propyl-1,3-dioxane?
The IUPAC name of 2-(3,5-dimethylcyclohexyl)-5-methyl-5-propyl-1,3-dioxane (CID 19803379) is 2-(3,5-dimethylcyclohexyl)-5-methyl-5-propyl-1,3-dioxane.
What is the SMILES notation for 2-(3,5-dimethylcyclohexyl)-5-methyl-5-propyl-1,3-dioxane?
The canonical SMILES for 2-(3,5-dimethylcyclohexyl)-5-methyl-5-propyl-1,3-dioxane is CCCC1(C)COC(C2CC(C)CC(C)C2)OC1.
What is the InChIKey of 2-(3,5-dimethylcyclohexyl)-5-methyl-5-propyl-1,3-dioxane?
The InChIKey is YWFDNHISPWSGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O2/c1-5-6-16(4)10-17-15(18-11-16)14-8-12(2)7-13(3)9-14/h12-15H,5-11H2,1-4H3.
What are the key properties of 2-(3,5-dimethylcyclohexyl)-5-methyl-5-propyl-1,3-dioxane?
2-(3,5-dimethylcyclohexyl)-5-methyl-5-propyl-1,3-dioxane has a molecular weight of 254.41 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylcyclohexyl)-5-methyl-5-propyl-1,3-dioxane is sourced from PubChem (CID 19803379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).