4-(2,5-dimethyl-1,3-dioxan-4-yl)-2,5-dimethyl-1,3-dioxane

C12H22O4 — CID 18740058

IUPAC4-(2,5-dimethyl-1,3-dioxan-4-yl)-2,5-dimethyl-1,3-dioxane
SMILESCC1OCC(C)C(C2OC(C)OCC2C)O1
InChIInChI=1S/C12H22O4/c1-7-5-13-9(3)15-11(7)12-8(2)6-14-10(4)16-12/h7-12H,5-6H2,1-4H3
InChIKeyYPFDHGDZVRBPFH-UHFFFAOYSA-N
MW230.30 g/mol
LogP1.78
Rot. Bonds1

About 4-(2,5-dimethyl-1,3-dioxan-4-yl)-2,5-dimethyl-1,3-dioxane

4-(2,5-dimethyl-1,3-dioxan-4-yl)-2,5-dimethyl-1,3-dioxane (PubChem CID 18740058) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is 4-(2,5-dimethyl-1,3-dioxan-4-yl)-2,5-dimethyl-1,3-dioxane.

Molecular Properties

Compound Name4-(2,5-dimethyl-1,3-dioxan-4-yl)-2,5-dimethyl-1,3-dioxane
PubChem CID18740058
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name4-(2,5-dimethyl-1,3-dioxan-4-yl)-2,5-dimethyl-1,3-dioxane
SMILESCC1OCC(C)C(C2OC(C)OCC2C)O1
InChIInChI=1S/C12H22O4/c1-7-5-13-9(3)15-11(7)12-8(2)6-14-10(4)16-12/h7-12H,5-6H2,1-4H3
InChIKeyYPFDHGDZVRBPFH-UHFFFAOYSA-N
XLogP1.78
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(2,5-dimethyl-1,3-dioxan-4-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 4-(2,5-dimethyl-1,3-dioxan-4-yl)-2,5-dimethyl-1,3-dioxane?
The IUPAC name of 4-(2,5-dimethyl-1,3-dioxan-4-yl)-2,5-dimethyl-1,3-dioxane (CID 18740058) is 4-(2,5-dimethyl-1,3-dioxan-4-yl)-2,5-dimethyl-1,3-dioxane.
What is the SMILES notation for 4-(2,5-dimethyl-1,3-dioxan-4-yl)-2,5-dimethyl-1,3-dioxane?
The canonical SMILES for 4-(2,5-dimethyl-1,3-dioxan-4-yl)-2,5-dimethyl-1,3-dioxane is CC1OCC(C)C(C2OC(C)OCC2C)O1.
What is the InChIKey of 4-(2,5-dimethyl-1,3-dioxan-4-yl)-2,5-dimethyl-1,3-dioxane?
The InChIKey is YPFDHGDZVRBPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4/c1-7-5-13-9(3)15-11(7)12-8(2)6-14-10(4)16-12/h7-12H,5-6H2,1-4H3.
What are the key properties of 4-(2,5-dimethyl-1,3-dioxan-4-yl)-2,5-dimethyl-1,3-dioxane?
4-(2,5-dimethyl-1,3-dioxan-4-yl)-2,5-dimethyl-1,3-dioxane has a molecular weight of 230.30 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethyl-1,3-dioxan-4-yl)-2,5-dimethyl-1,3-dioxane is sourced from PubChem (CID 18740058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).