(2S,5R)-2,5-dimethoxy-2,5-dimethyl-1,4-dioxane

C8H16O4 — CID 738898

IUPAC(2S,5R)-2,5-dimethoxy-2,5-dimethyl-1,4-dioxane
SMILESCO[C@]1(C)CO[C@@](C)(OC)CO1
InChIInChI=1S/C8H16O4/c1-7(9-3)5-12-8(2,10-4)6-11-7/h5-6H2,1-4H3/t7-,8+
InChIKeyUUGSNNUEVKTATH-OCAPTIKFSA-N
MW176.21 g/mol
LogP0.76
Rot. Bonds2

About (2S,5R)-2,5-dimethoxy-2,5-dimethyl-1,4-dioxane

(2S,5R)-2,5-dimethoxy-2,5-dimethyl-1,4-dioxane (PubChem CID 738898) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is (2S,5R)-2,5-dimethoxy-2,5-dimethyl-1,4-dioxane.

Molecular Properties

Compound Name(2S,5R)-2,5-dimethoxy-2,5-dimethyl-1,4-dioxane
PubChem CID738898
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name(2S,5R)-2,5-dimethoxy-2,5-dimethyl-1,4-dioxane
SMILESCO[C@]1(C)CO[C@@](C)(OC)CO1
InChIInChI=1S/C8H16O4/c1-7(9-3)5-12-8(2,10-4)6-11-7/h5-6H2,1-4H3/t7-,8+
InChIKeyUUGSNNUEVKTATH-OCAPTIKFSA-N
XLogP0.76
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S,5R)-2,5-dimethoxy-2,5-dimethyl-1,4-dioxane 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-methyl-2-[(2-methyloxiran-2-yl)oxymethoxy]oxirane
CID 141395062
2-methoxy-2-methylmorpholine
CID 174297458
2-methoxyoxiran-2-ol
CID 123437916
N-(2-methyloxiran-2-yl)oxypropan-2-imine
CID 89125405
hydroxy-(2-methyloxiran-2-yl)oxy-oxophosphanium
CID 172704739
(2S,4R,5R)-2-methoxy-2,5-dimethyloxan-4-ol
CID 89169125
2-cyclohexyloxy-2-methyloxirane
CID 89006811
2-methyl-2-phenoxyoxirane
CID 19360932
(2-methoxy-2,5-dimethyl-1,3-dioxan-5-yl)methanol
CID 54203877
2-methoxy-2-(methoxymethyl)oxirane
CID 172789195
2-chloro-2-methyloxirane
CID 15120421
2,2-dimethyloxirane;methanol
CID 161373463

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2,5-dimethoxy-2,5-dimethyl-1,4-dioxane?
The IUPAC name of (2S,5R)-2,5-dimethoxy-2,5-dimethyl-1,4-dioxane (CID 738898) is (2S,5R)-2,5-dimethoxy-2,5-dimethyl-1,4-dioxane.
What is the SMILES notation for (2S,5R)-2,5-dimethoxy-2,5-dimethyl-1,4-dioxane?
The canonical SMILES for (2S,5R)-2,5-dimethoxy-2,5-dimethyl-1,4-dioxane is CO[C@]1(C)CO[C@@](C)(OC)CO1.
What is the InChIKey of (2S,5R)-2,5-dimethoxy-2,5-dimethyl-1,4-dioxane?
The InChIKey is UUGSNNUEVKTATH-OCAPTIKFSA-N. The full InChI is InChI=1S/C8H16O4/c1-7(9-3)5-12-8(2,10-4)6-11-7/h5-6H2,1-4H3/t7-,8+.
What are the key properties of (2S,5R)-2,5-dimethoxy-2,5-dimethyl-1,4-dioxane?
(2S,5R)-2,5-dimethoxy-2,5-dimethyl-1,4-dioxane has a molecular weight of 176.21 g/mol, XLogP of 0.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2,5-dimethoxy-2,5-dimethyl-1,4-dioxane is sourced from PubChem (CID 738898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).