5,5-dimethyl-2-[(2R)-oxiran-2-yl]-1,3-dioxane

C8H14O3 — CID 11974590

IUPAC5,5-dimethyl-2-[(2R)-oxiran-2-yl]-1,3-dioxane
SMILESCC1(C)COC([C@H]2CO2)OC1
InChIInChI=1S/C8H14O3/c1-8(2)4-10-7(11-5-8)6-3-9-6/h6-7H,3-5H2,1-2H3/t6-/m1/s1
InChIKeyRMVRACJDGPXEIR-ZCFIWIBFSA-N
MW158.20 g/mol
LogP0.78
Rot. Bonds1

About 5,5-dimethyl-2-[(2R)-oxiran-2-yl]-1,3-dioxane

5,5-dimethyl-2-[(2R)-oxiran-2-yl]-1,3-dioxane (PubChem CID 11974590) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 5,5-dimethyl-2-[(2R)-oxiran-2-yl]-1,3-dioxane.

Molecular Properties

Compound Name5,5-dimethyl-2-[(2R)-oxiran-2-yl]-1,3-dioxane
PubChem CID11974590
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name5,5-dimethyl-2-[(2R)-oxiran-2-yl]-1,3-dioxane
SMILESCC1(C)COC([C@H]2CO2)OC1
InChIInChI=1S/C8H14O3/c1-8(2)4-10-7(11-5-8)6-3-9-6/h6-7H,3-5H2,1-2H3/t6-/m1/s1
InChIKeyRMVRACJDGPXEIR-ZCFIWIBFSA-N
XLogP0.78
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

Glycidaldehyde diethyl acetal
CID 4623426
2,3-Epoxy-1-(1-ethoxyethoxy)propane
CID 13096561
2-Isopropyl-5-methoxy-1,3-dioxane
CID 45096111
2-[Di(propan-2-yloxy)methyl]oxirane
CID 91432286
2-Methoxymethyl-5,5-dimethyl-1,3-dioxane
CID 14597942
2,2,6,6-Tetramethyl-1,4,8-trioxaspiro[2.5]octane
CID 71436399
(2R)-2-(diethoxymethyl)oxirane
CID 1501965
(2S)-2-(diethoxymethyl)oxirane
CID 1501966
5,5-Dimethyl-2-(oxiran-2-yl)-1,3-dioxane
CID 11974589
(2R)-2-[di(propan-2-yloxy)methyl]oxirane
CID 101417394
2-Methoxy-3-(propan-2-yloxymethyl)oxirane
CID 17853757
5-Methoxy-2-methyl-1,3-dioxane
CID 19438567

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-[(2R)-oxiran-2-yl]-1,3-dioxane?
The IUPAC name of 5,5-dimethyl-2-[(2R)-oxiran-2-yl]-1,3-dioxane (CID 11974590) is 5,5-dimethyl-2-[(2R)-oxiran-2-yl]-1,3-dioxane.
What is the SMILES notation for 5,5-dimethyl-2-[(2R)-oxiran-2-yl]-1,3-dioxane?
The canonical SMILES for 5,5-dimethyl-2-[(2R)-oxiran-2-yl]-1,3-dioxane is CC1(C)COC([C@H]2CO2)OC1.
What is the InChIKey of 5,5-dimethyl-2-[(2R)-oxiran-2-yl]-1,3-dioxane?
The InChIKey is RMVRACJDGPXEIR-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H14O3/c1-8(2)4-10-7(11-5-8)6-3-9-6/h6-7H,3-5H2,1-2H3/t6-/m1/s1.
What are the key properties of 5,5-dimethyl-2-[(2R)-oxiran-2-yl]-1,3-dioxane?
5,5-dimethyl-2-[(2R)-oxiran-2-yl]-1,3-dioxane has a molecular weight of 158.20 g/mol, XLogP of 0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-[(2R)-oxiran-2-yl]-1,3-dioxane is sourced from PubChem (CID 11974590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).