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

C16H26O6 — CID 89090172

IUPAC2-[4-[2-(oxan-2-yl)-1,3-dioxolan-4-yl]-1,3-dioxolan-2-yl]oxane
SMILESC1CCC(C2OCC(C3COC(C4CCCCO4)O3)O2)OC1
InChIInChI=1S/C16H26O6/c1-3-7-17-11(5-1)15-19-9-13(21-15)14-10-20-16(22-14)12-6-2-4-8-18-12/h11-16H,1-10H2
InChIKeyBDMITUPFNGSYKE-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.61
Rot. Bonds3

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

2-[4-[2-(oxan-2-yl)-1,3-dioxolan-4-yl]-1,3-dioxolan-2-yl]oxane (PubChem CID 89090172) has the molecular formula C16H26O6 and a molecular weight of 314.38 g/mol. Its IUPAC name is 2-[4-[2-(oxan-2-yl)-1,3-dioxolan-4-yl]-1,3-dioxolan-2-yl]oxane.

Molecular Properties

Compound Name2-[4-[2-(oxan-2-yl)-1,3-dioxolan-4-yl]-1,3-dioxolan-2-yl]oxane
PubChem CID89090172
Molecular FormulaC16H26O6
Molecular Weight314.38 g/mol
Exact Mass314.17
IUPAC Name2-[4-[2-(oxan-2-yl)-1,3-dioxolan-4-yl]-1,3-dioxolan-2-yl]oxane
SMILESC1CCC(C2OCC(C3COC(C4CCCCO4)O3)O2)OC1
InChIInChI=1S/C16H26O6/c1-3-7-17-11(5-1)15-19-9-13(21-15)14-10-20-16(22-14)12-6-2-4-8-18-12/h11-16H,1-10H2
InChIKeyBDMITUPFNGSYKE-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-[2-(oxan-2-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

Related Compounds

2,2'-Bi-1,4-dioxaspiro[4.5]decane
CID 13707955
(1S,2R,6R,8R,9S)-4,4,11,11-tetramethyl-8-(oxan-2-yloxymethyl)-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 44517378
4,4,11,11-Tetramethyl-8-(oxan-2-yloxymethyl)-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 75039680
1,4-anhydro-2,3,6-tri-O-methyl-alpha-l-idopyranose
CID 129829690
1,4-anhydro-2,3,6-tri-O-methyl-beta-d-galactopyranose
CID 129829699
(6R,9S)-4,4,11,11-tetramethyl-8-[[(2S)-oxan-2-yl]oxymethyl]-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 134972221
(3S)-3-[(3R)-1,4-dioxaspiro[4.5]decan-3-yl]-1,4-dioxaspiro[4.5]decane
CID 13707956
3-(1,4-Dioxaspiro[4.5]decan-3-ylmethoxymethyl)-1,4-dioxaspiro[4.5]decane
CID 19030177
4-[4-[2-(Oxan-4-yl)-1,3-dioxolan-4-yl]-1,3-dioxolan-2-yl]oxane
CID 70907896
(3aR,6aR)-4-(1-ethoxycyclohexyl)oxyspiro[3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-2,1'-cyclohexane]
CID 89035779
3-[2-(Oxan-4-yloxy)-3-(oxolan-3-yloxy)oxolan-2-yl]oxyoxane
CID 149434302
2,4-Dimethyl-1,3-dioxane;2,4-dimethyl-1,3-dioxolane;2,6-dimethyloxane
CID 156883339

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(oxan-2-yl)-1,3-dioxolan-4-yl]-1,3-dioxolan-2-yl]oxane?
The IUPAC name of 2-[4-[2-(oxan-2-yl)-1,3-dioxolan-4-yl]-1,3-dioxolan-2-yl]oxane (CID 89090172) is 2-[4-[2-(oxan-2-yl)-1,3-dioxolan-4-yl]-1,3-dioxolan-2-yl]oxane.
What is the SMILES notation for 2-[4-[2-(oxan-2-yl)-1,3-dioxolan-4-yl]-1,3-dioxolan-2-yl]oxane?
The canonical SMILES for 2-[4-[2-(oxan-2-yl)-1,3-dioxolan-4-yl]-1,3-dioxolan-2-yl]oxane is C1CCC(C2OCC(C3COC(C4CCCCO4)O3)O2)OC1.
What is the InChIKey of 2-[4-[2-(oxan-2-yl)-1,3-dioxolan-4-yl]-1,3-dioxolan-2-yl]oxane?
The InChIKey is BDMITUPFNGSYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O6/c1-3-7-17-11(5-1)15-19-9-13(21-15)14-10-20-16(22-14)12-6-2-4-8-18-12/h11-16H,1-10H2.
What are the key properties of 2-[4-[2-(oxan-2-yl)-1,3-dioxolan-4-yl]-1,3-dioxolan-2-yl]oxane?
2-[4-[2-(oxan-2-yl)-1,3-dioxolan-4-yl]-1,3-dioxolan-2-yl]oxane has a molecular weight of 314.38 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(oxan-2-yl)-1,3-dioxolan-4-yl]-1,3-dioxolan-2-yl]oxane is sourced from PubChem (CID 89090172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).