ethane;2-methyl-1,4-dioxane

C7H16O2 — CID 91216849

IUPACethane;2-methyl-1,4-dioxane
SMILESCC.CC1COCCO1
InChIInChI=1S/C5H10O2.C2H6/c1-5-4-6-2-3-7-5;1-2/h5H,2-4H2,1H3;1-2H3
InChIKeyOZVJTRLUSRPYOD-UHFFFAOYSA-N
MW132.20 g/mol
LogP1.45
Rot. Bonds

About ethane;2-methyl-1,4-dioxane

ethane;2-methyl-1,4-dioxane (PubChem CID 91216849) has the molecular formula C7H16O2 and a molecular weight of 132.20 g/mol. Its IUPAC name is ethane;2-methyl-1,4-dioxane.

Molecular Properties

Compound Nameethane;2-methyl-1,4-dioxane
PubChem CID91216849
Molecular FormulaC7H16O2
Molecular Weight132.20 g/mol
Exact Mass132.12
IUPAC Nameethane;2-methyl-1,4-dioxane
SMILESCC.CC1COCCO1
InChIInChI=1S/C5H10O2.C2H6/c1-5-4-6-2-3-7-5;1-2/h5H,2-4H2,1H3;1-2H3
InChIKeyOZVJTRLUSRPYOD-UHFFFAOYSA-N
XLogP1.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.20
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;(2R)-2-methyl-1,4-dioxane
CID 145396958
(2R)-2-methyl-1,4-dioxacyclopentadecane
CID 139946124
(2-methyloxirane);oxirane
CID 173423277
(5S,13S)-5,13-dimethyl-3,6,9,12,15-pentaoxa-21-azabicyclo[15.3.1]henicosa-1(21),17,19-triene
CID 102505485
1,3-dioxane;ethane;methane;2-methyl-1,4-dioxane;1-methylpiperidine;1-methylpyrrolidine;oxane;oxolane;thiane;thiolane
CID 160749387
(2S)-2,5-dimethyl-1,4-dioxane
CID 6712981
ethane;2-ethyl-1,4-dioxane
CID 170734415
3,6,9,12,15,18,21,24-octaoxabicyclo[12.10.0]tetracosane
CID 552594
2,3-dimethyl-1,4,7,10,13,16-hexaoxacyclooctadecane
CID 14814457
9,10-dimethyl-1,4,7-trioxacycloundecane
CID 20818181
2-methyloxirane;oxirane;propan-2-ol
CID 22467713
methane;4-methyl-1,3-dioxolane;dihydrochloride
CID 174714433

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1,4-dioxane?
The IUPAC name of ethane;2-methyl-1,4-dioxane (CID 91216849) is ethane;2-methyl-1,4-dioxane.
What is the SMILES notation for ethane;2-methyl-1,4-dioxane?
The canonical SMILES for ethane;2-methyl-1,4-dioxane is CC.CC1COCCO1.
What is the InChIKey of ethane;2-methyl-1,4-dioxane?
The InChIKey is OZVJTRLUSRPYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.C2H6/c1-5-4-6-2-3-7-5;1-2/h5H,2-4H2,1H3;1-2H3.
What are the key properties of ethane;2-methyl-1,4-dioxane?
ethane;2-methyl-1,4-dioxane has a molecular weight of 132.20 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1,4-dioxane is sourced from PubChem (CID 91216849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).