(4R,5R)-5-ethyl-2,2-dimethyl-4-propyl-1,3-dioxane

C11H22O2 — CID 135353798

IUPAC(4R,5R)-5-ethyl-2,2-dimethyl-4-propyl-1,3-dioxane
SMILESCCC[C@H]1OC(C)(C)OC[C@H]1CC
InChIInChI=1S/C11H22O2/c1-5-7-10-9(6-2)8-12-11(3,4)13-10/h9-10H,5-8H2,1-4H3/t9-,10-/m1/s1
InChIKeyZKLLDAMMLBZEFK-NXEZZACHSA-N
MW186.30 g/mol
LogP2.96
Rot. Bonds3

About (4R,5R)-5-ethyl-2,2-dimethyl-4-propyl-1,3-dioxane

(4R,5R)-5-ethyl-2,2-dimethyl-4-propyl-1,3-dioxane (PubChem CID 135353798) has the molecular formula C11H22O2 and a molecular weight of 186.30 g/mol. Its IUPAC name is (4R,5R)-5-ethyl-2,2-dimethyl-4-propyl-1,3-dioxane.

Molecular Properties

Compound Name(4R,5R)-5-ethyl-2,2-dimethyl-4-propyl-1,3-dioxane
PubChem CID135353798
Molecular FormulaC11H22O2
Molecular Weight186.30 g/mol
Exact Mass186.16
IUPAC Name(4R,5R)-5-ethyl-2,2-dimethyl-4-propyl-1,3-dioxane
SMILESCCC[C@H]1OC(C)(C)OC[C@H]1CC
InChIInChI=1S/C11H22O2/c1-5-7-10-9(6-2)8-12-11(3,4)13-10/h9-10H,5-8H2,1-4H3/t9-,10-/m1/s1
InChIKeyZKLLDAMMLBZEFK-NXEZZACHSA-N
XLogP2.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4R,5R)-5-ethyl-2,2-dimethyl-4-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 (4R,5R)-5-ethyl-2,2-dimethyl-4-propyl-1,3-dioxane?
The IUPAC name of (4R,5R)-5-ethyl-2,2-dimethyl-4-propyl-1,3-dioxane (CID 135353798) is (4R,5R)-5-ethyl-2,2-dimethyl-4-propyl-1,3-dioxane.
What is the SMILES notation for (4R,5R)-5-ethyl-2,2-dimethyl-4-propyl-1,3-dioxane?
The canonical SMILES for (4R,5R)-5-ethyl-2,2-dimethyl-4-propyl-1,3-dioxane is CCC[C@H]1OC(C)(C)OC[C@H]1CC.
What is the InChIKey of (4R,5R)-5-ethyl-2,2-dimethyl-4-propyl-1,3-dioxane?
The InChIKey is ZKLLDAMMLBZEFK-NXEZZACHSA-N. The full InChI is InChI=1S/C11H22O2/c1-5-7-10-9(6-2)8-12-11(3,4)13-10/h9-10H,5-8H2,1-4H3/t9-,10-/m1/s1.
What are the key properties of (4R,5R)-5-ethyl-2,2-dimethyl-4-propyl-1,3-dioxane?
(4R,5R)-5-ethyl-2,2-dimethyl-4-propyl-1,3-dioxane has a molecular weight of 186.30 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-ethyl-2,2-dimethyl-4-propyl-1,3-dioxane is sourced from PubChem (CID 135353798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).