3,5-dimethyldioxane

C6H12O2 — CID 154316920

IUPAC3,5-dimethyldioxane
SMILESCC1COOC(C)C1
InChIInChI=1S/C6H12O2/c1-5-3-6(2)8-7-4-5/h5-6H,3-4H2,1-2H3
InChIKeyYALVCEZFBKMMSM-UHFFFAOYSA-N
MW116.16 g/mol
LogP1.36
Rot. Bonds

About 3,5-dimethyldioxane

3,5-dimethyldioxane (PubChem CID 154316920) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 3,5-dimethyldioxane.

Molecular Properties

Compound Name3,5-dimethyldioxane
PubChem CID154316920
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name3,5-dimethyldioxane
SMILESCC1COOC(C)C1
InChIInChI=1S/C6H12O2/c1-5-3-6(2)8-7-4-5/h5-6H,3-4H2,1-2H3
InChIKeyYALVCEZFBKMMSM-UHFFFAOYSA-N
XLogP1.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2-methyloxirane;molecular iodine
CID 91277313
2-iodo-4,6-dimethyl-1,3-dioxane
CID 129213139
(2R,4S)-2-(iodomethyl)-4-methyloxolane
CID 125455824
2,4-dimethyl-6-propan-2-yloxane
CID 86234215
CID 163498360
CID 163498360
2-methyloxirane;polane
CID 173240072
λ2-plumbane;2-methyloxirane
CID 173222692
2-fluoro-4-methyloxolane
CID 57195800
4-methyloxolan-2-ol
CID 11007834
(2S)-2,3,5-trimethyloxane
CID 58758243
(4R)-2,4-dimethyloxane
CID 129313541
3-methyloxetane;oxetan-3-ol
CID 159981362

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyldioxane?
The IUPAC name of 3,5-dimethyldioxane (CID 154316920) is 3,5-dimethyldioxane.
What is the SMILES notation for 3,5-dimethyldioxane?
The canonical SMILES for 3,5-dimethyldioxane is CC1COOC(C)C1.
What is the InChIKey of 3,5-dimethyldioxane?
The InChIKey is YALVCEZFBKMMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-5-3-6(2)8-7-4-5/h5-6H,3-4H2,1-2H3.
What are the key properties of 3,5-dimethyldioxane?
3,5-dimethyldioxane has a molecular weight of 116.16 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyldioxane is sourced from PubChem (CID 154316920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).