2-(2-propan-2-yloxypropan-2-yl)-1,4-dioxane

C10H20O3 — CID 139637246

IUPAC2-(2-propan-2-yloxypropan-2-yl)-1,4-dioxane
SMILESCC(C)OC(C)(C)C1COCCO1
InChIInChI=1S/C10H20O3/c1-8(2)13-10(3,4)9-7-11-5-6-12-9/h8-9H,5-7H2,1-4H3
InChIKeyCGDVNOXJSWDYBL-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.61
Rot. Bonds3

About 2-(2-propan-2-yloxypropan-2-yl)-1,4-dioxane

2-(2-propan-2-yloxypropan-2-yl)-1,4-dioxane (PubChem CID 139637246) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-(2-propan-2-yloxypropan-2-yl)-1,4-dioxane.

Molecular Properties

Compound Name2-(2-propan-2-yloxypropan-2-yl)-1,4-dioxane
PubChem CID139637246
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name2-(2-propan-2-yloxypropan-2-yl)-1,4-dioxane
SMILESCC(C)OC(C)(C)C1COCCO1
InChIInChI=1S/C10H20O3/c1-8(2)13-10(3,4)9-7-11-5-6-12-9/h8-9H,5-7H2,1-4H3
InChIKeyCGDVNOXJSWDYBL-UHFFFAOYSA-N
XLogP1.61
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,5,5-Tetramethyldioxane
CID 19823906
2,2-Diethyl-1,4-dioxane
CID 20316221
Hexamethyldioxane
CID 54526665
Dimethyl-dimethyl dioxane
CID 57777505
2-Ethyl-2-methyl-1,4-dioxane
CID 21332866
4-Butoxy-2-methyl-2,3-epoxybutane
CID 12723340
cis-2,5-Diethyl-1,4-dioxane
CID 129691926
cis-2,6-Diethyl-1,4-dioxane
CID 129691927
2-Isopropyl-5-methyl-5-methoxy-methyl-1,3,2-dioxaborinane
CID 133065054
2-(2-Butoxypropan-2-yl)oxirane
CID 13757195
2,2,6,6-Tetramethyl-1,4-dioxane
CID 20529892
1,2-Dimethoxy-2-(methoxymethyl)butane
CID 20588963

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-yloxypropan-2-yl)-1,4-dioxane?
The IUPAC name of 2-(2-propan-2-yloxypropan-2-yl)-1,4-dioxane (CID 139637246) is 2-(2-propan-2-yloxypropan-2-yl)-1,4-dioxane.
What is the SMILES notation for 2-(2-propan-2-yloxypropan-2-yl)-1,4-dioxane?
The canonical SMILES for 2-(2-propan-2-yloxypropan-2-yl)-1,4-dioxane is CC(C)OC(C)(C)C1COCCO1.
What is the InChIKey of 2-(2-propan-2-yloxypropan-2-yl)-1,4-dioxane?
The InChIKey is CGDVNOXJSWDYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-8(2)13-10(3,4)9-7-11-5-6-12-9/h8-9H,5-7H2,1-4H3.
What are the key properties of 2-(2-propan-2-yloxypropan-2-yl)-1,4-dioxane?
2-(2-propan-2-yloxypropan-2-yl)-1,4-dioxane has a molecular weight of 188.27 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-yloxypropan-2-yl)-1,4-dioxane is sourced from PubChem (CID 139637246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).