4-[4-[2-(oxan-4-yl)-1,3-dioxolan-4-yl]-1,3-dioxolan-2-yl]oxane

C16H26O6 — CID 70907896

IUPAC4-[4-[2-(oxan-4-yl)-1,3-dioxolan-4-yl]-1,3-dioxolan-2-yl]oxane
SMILESC1CC(C2OCC(C3COC(C4CCOCC4)O3)O2)CCO1
InChIInChI=1S/C16H26O6/c1-5-17-6-2-11(1)15-19-9-13(21-15)14-10-20-16(22-14)12-3-7-18-8-4-12/h11-16H,1-10H2
InChIKeyRDBDLIUGJWGBHQ-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.32
Rot. Bonds3

About 4-[4-[2-(oxan-4-yl)-1,3-dioxolan-4-yl]-1,3-dioxolan-2-yl]oxane

4-[4-[2-(oxan-4-yl)-1,3-dioxolan-4-yl]-1,3-dioxolan-2-yl]oxane (PubChem CID 70907896) has the molecular formula C16H26O6 and a molecular weight of 314.38 g/mol. Its IUPAC name is 4-[4-[2-(oxan-4-yl)-1,3-dioxolan-4-yl]-1,3-dioxolan-2-yl]oxane.

Molecular Properties

Compound Name4-[4-[2-(oxan-4-yl)-1,3-dioxolan-4-yl]-1,3-dioxolan-2-yl]oxane
PubChem CID70907896
Molecular FormulaC16H26O6
Molecular Weight314.38 g/mol
Exact Mass314.17
IUPAC Name4-[4-[2-(oxan-4-yl)-1,3-dioxolan-4-yl]-1,3-dioxolan-2-yl]oxane
SMILESC1CC(C2OCC(C3COC(C4CCOCC4)O3)O2)CCO1
InChIInChI=1S/C16H26O6/c1-5-17-6-2-11(1)15-19-9-13(21-15)14-10-20-16(22-14)12-3-7-18-8-4-12/h11-16H,1-10H2
InChIKeyRDBDLIUGJWGBHQ-UHFFFAOYSA-N
XLogP1.32
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-[2-(oxan-4-yl)-1,3-dioxolan-4-yl]-1,3-dioxolan-2-yl]oxane 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-[4-[2-(oxan-4-yl)-1,3-dioxolan-4-yl]-1,3-dioxolan-2-yl]oxane?
The IUPAC name of 4-[4-[2-(oxan-4-yl)-1,3-dioxolan-4-yl]-1,3-dioxolan-2-yl]oxane (CID 70907896) is 4-[4-[2-(oxan-4-yl)-1,3-dioxolan-4-yl]-1,3-dioxolan-2-yl]oxane.
What is the SMILES notation for 4-[4-[2-(oxan-4-yl)-1,3-dioxolan-4-yl]-1,3-dioxolan-2-yl]oxane?
The canonical SMILES for 4-[4-[2-(oxan-4-yl)-1,3-dioxolan-4-yl]-1,3-dioxolan-2-yl]oxane is C1CC(C2OCC(C3COC(C4CCOCC4)O3)O2)CCO1.
What is the InChIKey of 4-[4-[2-(oxan-4-yl)-1,3-dioxolan-4-yl]-1,3-dioxolan-2-yl]oxane?
The InChIKey is RDBDLIUGJWGBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O6/c1-5-17-6-2-11(1)15-19-9-13(21-15)14-10-20-16(22-14)12-3-7-18-8-4-12/h11-16H,1-10H2.
What are the key properties of 4-[4-[2-(oxan-4-yl)-1,3-dioxolan-4-yl]-1,3-dioxolan-2-yl]oxane?
4-[4-[2-(oxan-4-yl)-1,3-dioxolan-4-yl]-1,3-dioxolan-2-yl]oxane has a molecular weight of 314.38 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(oxan-4-yl)-1,3-dioxolan-4-yl]-1,3-dioxolan-2-yl]oxane is sourced from PubChem (CID 70907896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).