(2S)-2-(propan-2-yloxymethyl)-1,4-dioxane

C8H16O3 — CID 167458864

IUPAC(2S)-2-(propan-2-yloxymethyl)-1,4-dioxane
SMILESCC(C)OC[C@@H]1COCCO1
InChIInChI=1S/C8H16O3/c1-7(2)11-6-8-5-9-3-4-10-8/h7-8H,3-6H2,1-2H3/t8-/m0/s1
InChIKeyAZRRTEBCAYMUIG-QMMMGPOBSA-N
MW160.21 g/mol
LogP0.83
Rot. Bonds3

About (2S)-2-(propan-2-yloxymethyl)-1,4-dioxane

(2S)-2-(propan-2-yloxymethyl)-1,4-dioxane (PubChem CID 167458864) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is (2S)-2-(propan-2-yloxymethyl)-1,4-dioxane.

Molecular Properties

Compound Name(2S)-2-(propan-2-yloxymethyl)-1,4-dioxane
PubChem CID167458864
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name(2S)-2-(propan-2-yloxymethyl)-1,4-dioxane
SMILESCC(C)OC[C@@H]1COCCO1
InChIInChI=1S/C8H16O3/c1-7(2)11-6-8-5-9-3-4-10-8/h7-8H,3-6H2,1-2H3/t8-/m0/s1
InChIKeyAZRRTEBCAYMUIG-QMMMGPOBSA-N
XLogP0.83
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[(2S)-3-methylbutan-2-yl]oxymethyl]-1,4-dioxane
CID 167458632
2-(propan-2-yloxymethyl)oxirane
CID 159998967
2-(butan-2-yloxymethyl)-1,4,7,10,13,16-hexaoxacyclooctadecane
CID 118052162
2-(ethoxymethyl)-1,4-dioxane
CID 20725722
1,4-dioxan-2-ylmethyl methyl carbonate
CID 21305997
1-(1,4-dioxan-2-yl)propan-2-amine
CID 54484153
1-[(2S)-1,4-dioxan-2-yl]propan-2-amine
CID 89159983
2-(2,3-dimethylbutyl)-1,4-dioxane
CID 178009614
1,4,7,10,13,16-hexaoxacyclooctadec-2-ylmethyl methanesulfonate
CID 10714329
(2S)-4-propan-2-yl-2-(propan-2-yloxymethyl)morpholine
CID 174286235
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-1,4,7,10,13-pentaoxacyclopentadecane
CID 15568934
ethane;2-ethyl-1,4-dioxane
CID 170734415

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(propan-2-yloxymethyl)-1,4-dioxane?
The IUPAC name of (2S)-2-(propan-2-yloxymethyl)-1,4-dioxane (CID 167458864) is (2S)-2-(propan-2-yloxymethyl)-1,4-dioxane.
What is the SMILES notation for (2S)-2-(propan-2-yloxymethyl)-1,4-dioxane?
The canonical SMILES for (2S)-2-(propan-2-yloxymethyl)-1,4-dioxane is CC(C)OC[C@@H]1COCCO1.
What is the InChIKey of (2S)-2-(propan-2-yloxymethyl)-1,4-dioxane?
The InChIKey is AZRRTEBCAYMUIG-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H16O3/c1-7(2)11-6-8-5-9-3-4-10-8/h7-8H,3-6H2,1-2H3/t8-/m0/s1.
What are the key properties of (2S)-2-(propan-2-yloxymethyl)-1,4-dioxane?
(2S)-2-(propan-2-yloxymethyl)-1,4-dioxane has a molecular weight of 160.21 g/mol, XLogP of 0.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(propan-2-yloxymethyl)-1,4-dioxane is sourced from PubChem (CID 167458864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).