4-butan-2-yloxy-2,6-dimethyl-1,3-dioxane;2,4-dimethyl-6-[1-(4-methyl-1,3-dioxan-2-yl)propan-2-yloxy]-1,3-dioxane

C24H46O8 — CID 167598458

IUPAC4-butan-2-yloxy-2,6-dimethyl-1,3-dioxane;2,4-dimethyl-6-[1-(4-methyl-1,3-dioxan-2-yl)propan-2-yloxy]-1,3-dioxane
SMILESCC1CC(OC(C)CC2OCCC(C)O2)OC(C)O1.CCC(C)OC1CC(C)OC(C)O1
InChIInChI=1S/C14H26O5.C10H20O3/c1-9-5-6-15-13(17-9)7-11(3)18-14-8-10(2)16-12(4)19-14;1-5-7(2)12-10-6-8(3)11-9(4)13-10/h9-14H,5-8H2,1-4H3;7-10H,5-6H2,1-4H3
InChIKeyJJXPSGBOPXRYTH-UHFFFAOYSA-N
MW462.62 g/mol
LogP4.73
Rot. Bonds7

About 4-butan-2-yloxy-2,6-dimethyl-1,3-dioxane;2,4-dimethyl-6-[1-(4-methyl-1,3-dioxan-2-yl)propan-2-yloxy]-1,3-dioxane

4-butan-2-yloxy-2,6-dimethyl-1,3-dioxane;2,4-dimethyl-6-[1-(4-methyl-1,3-dioxan-2-yl)propan-2-yloxy]-1,3-dioxane (PubChem CID 167598458) has the molecular formula C24H46O8 and a molecular weight of 462.62 g/mol. Its IUPAC name is 4-butan-2-yloxy-2,6-dimethyl-1,3-dioxane;2,4-dimethyl-6-[1-(4-methyl-1,3-dioxan-2-yl)propan-2-yloxy]-1,3-dioxane.

Molecular Properties

Compound Name4-butan-2-yloxy-2,6-dimethyl-1,3-dioxane;2,4-dimethyl-6-[1-(4-methyl-1,3-dioxan-2-yl)propan-2-yloxy]-1,3-dioxane
PubChem CID167598458
Molecular FormulaC24H46O8
Molecular Weight462.62 g/mol
Exact Mass462.32
IUPAC Name4-butan-2-yloxy-2,6-dimethyl-1,3-dioxane;2,4-dimethyl-6-[1-(4-methyl-1,3-dioxan-2-yl)propan-2-yloxy]-1,3-dioxane
SMILESCC1CC(OC(C)CC2OCCC(C)O2)OC(C)O1.CCC(C)OC1CC(C)OC(C)O1
InChIInChI=1S/C14H26O5.C10H20O3/c1-9-5-6-15-13(17-9)7-11(3)18-14-8-10(2)16-12(4)19-14;1-5-7(2)12-10-6-8(3)11-9(4)13-10/h9-14H,5-8H2,1-4H3;7-10H,5-6H2,1-4H3
InChIKeyJJXPSGBOPXRYTH-UHFFFAOYSA-N
XLogP4.73
TPSA73.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.62
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-butan-2-yloxy-2,6-dimethyl-1,3-dioxane;2,4-dimethyl-6-[1-(4-methyl-1,3-dioxan-2-yl)propan-2-yloxy]-1,3-dioxane with MolForge

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Related Compounds

2-butan-2-yloxyoxane
CID 559028
4-methyl-2-(3-methylpentan-2-yl)-1,3-dioxane
CID 170568146
3-[2-(4-methyl-1,3-dioxan-2-yl)ethoxy]butan-1-ol
CID 13464120
2,4-dimethyl-6-propoxy-1,3-dioxane
CID 89315667
(2R,3S,4R,6S)-6-butan-2-yloxy-2-(hydroxymethyl)oxane-3,4-diol
CID 102217415
butan-2-ol;butan-2-yl acetate;4-ethyl-2,6-dimethyl-1,3-dioxane
CID 160815637
4-[2-(4-methyl-1,3-dioxan-2-yl)ethoxy]butan-2-ol
CID 13464119
butan-2-ol;2-methyloxirane
CID 161079441
5-butan-2-yloxybicyclo[2.1.0]pentane
CID 90886717
(2R)-2-methylbutanoic acid;2-methyloxetane
CID 70383358
2-(2-methylpentyl)-1,3-dioxan-4-ol
CID 89310724
2-[(2-methyl-1,3-dioxolan-4-yl)oxy]butan-1-ol
CID 138705293

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yloxy-2,6-dimethyl-1,3-dioxane;2,4-dimethyl-6-[1-(4-methyl-1,3-dioxan-2-yl)propan-2-yloxy]-1,3-dioxane?
The IUPAC name of 4-butan-2-yloxy-2,6-dimethyl-1,3-dioxane;2,4-dimethyl-6-[1-(4-methyl-1,3-dioxan-2-yl)propan-2-yloxy]-1,3-dioxane (CID 167598458) is 4-butan-2-yloxy-2,6-dimethyl-1,3-dioxane;2,4-dimethyl-6-[1-(4-methyl-1,3-dioxan-2-yl)propan-2-yloxy]-1,3-dioxane.
What is the SMILES notation for 4-butan-2-yloxy-2,6-dimethyl-1,3-dioxane;2,4-dimethyl-6-[1-(4-methyl-1,3-dioxan-2-yl)propan-2-yloxy]-1,3-dioxane?
The canonical SMILES for 4-butan-2-yloxy-2,6-dimethyl-1,3-dioxane;2,4-dimethyl-6-[1-(4-methyl-1,3-dioxan-2-yl)propan-2-yloxy]-1,3-dioxane is CC1CC(OC(C)CC2OCCC(C)O2)OC(C)O1.CCC(C)OC1CC(C)OC(C)O1.
What is the InChIKey of 4-butan-2-yloxy-2,6-dimethyl-1,3-dioxane;2,4-dimethyl-6-[1-(4-methyl-1,3-dioxan-2-yl)propan-2-yloxy]-1,3-dioxane?
The InChIKey is JJXPSGBOPXRYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O5.C10H20O3/c1-9-5-6-15-13(17-9)7-11(3)18-14-8-10(2)16-12(4)19-14;1-5-7(2)12-10-6-8(3)11-9(4)13-10/h9-14H,5-8H2,1-4H3;7-10H,5-6H2,1-4H3.
What are the key properties of 4-butan-2-yloxy-2,6-dimethyl-1,3-dioxane;2,4-dimethyl-6-[1-(4-methyl-1,3-dioxan-2-yl)propan-2-yloxy]-1,3-dioxane?
4-butan-2-yloxy-2,6-dimethyl-1,3-dioxane;2,4-dimethyl-6-[1-(4-methyl-1,3-dioxan-2-yl)propan-2-yloxy]-1,3-dioxane has a molecular weight of 462.62 g/mol, XLogP of 4.73, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yloxy-2,6-dimethyl-1,3-dioxane;2,4-dimethyl-6-[1-(4-methyl-1,3-dioxan-2-yl)propan-2-yloxy]-1,3-dioxane is sourced from PubChem (CID 167598458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).