2-ethyl-2-methyl-1,4-dioxane

C7H14O2 — CID 21332866

IUPAC2-ethyl-2-methyl-1,4-dioxane
SMILESCCC1(C)COCCO1
InChIInChI=1S/C7H14O2/c1-3-7(2)6-8-4-5-9-7/h3-6H2,1-2H3
InChIKeyMCSJBDKPBUJIOI-UHFFFAOYSA-N
MW130.19 g/mol
LogP1.20
Rot. Bonds1

About 2-ethyl-2-methyl-1,4-dioxane

2-ethyl-2-methyl-1,4-dioxane (PubChem CID 21332866) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 2-ethyl-2-methyl-1,4-dioxane.

Molecular Properties

Compound Name2-ethyl-2-methyl-1,4-dioxane
PubChem CID21332866
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name2-ethyl-2-methyl-1,4-dioxane
SMILESCCC1(C)COCCO1
InChIInChI=1S/C7H14O2/c1-3-7(2)6-8-4-5-9-7/h3-6H2,1-2H3
InChIKeyMCSJBDKPBUJIOI-UHFFFAOYSA-N
XLogP1.20
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,12-bis(bromomethyl)-2,12-dimethyl-1,4,7,10,13-pentaoxacyclopentadecane
CID 102587971
2-methyl-2-octadecyl-1,4-dioxane
CID 150538207
2-(2-methoxyethoxymethyl)-2-methyl-1,4,7,10-tetraoxacyclododecane
CID 102268049
12-ethyl-12-(12-ethyl-1,4,7,10-tetraoxacyclotridec-12-yl)-1,4,7,10-tetraoxacyclotridecane
CID 14205915
1,1-dimethylcyclopropane;2,2-dimethyloxirane;1-ethyl-1-methylcyclopropane;2-ethyl-2-methyloxirane
CID 158162531
2-methyl-2-propyl-1,3,6-trioxocane
CID 89306416
2,12-dimethyl-2,12-bis[2-(oxan-2-yloxy)ethoxymethyl]-1,4,7,10,13,16-hexaoxacyclooctadecane
CID 11410911
2,2-dimethyl-1,3-dioxolane;ethane;propane
CID 143842052
2-ethyl-2-methyl-4-prop-2-enyloxan-4-ol
CID 79734892
3,5-diethyl-3,5-dimethyloxolan-2-one
CID 14640406
2-ethyl-2-methyl-1,9-dioxa-4-azaspiro[5.5]undecane
CID 114497305
2-ethyl-2-methyloxane-4-carbonitrile
CID 12822947

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-1,4-dioxane?
The IUPAC name of 2-ethyl-2-methyl-1,4-dioxane (CID 21332866) is 2-ethyl-2-methyl-1,4-dioxane.
What is the SMILES notation for 2-ethyl-2-methyl-1,4-dioxane?
The canonical SMILES for 2-ethyl-2-methyl-1,4-dioxane is CCC1(C)COCCO1.
What is the InChIKey of 2-ethyl-2-methyl-1,4-dioxane?
The InChIKey is MCSJBDKPBUJIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-3-7(2)6-8-4-5-9-7/h3-6H2,1-2H3.
What are the key properties of 2-ethyl-2-methyl-1,4-dioxane?
2-ethyl-2-methyl-1,4-dioxane has a molecular weight of 130.19 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-1,4-dioxane is sourced from PubChem (CID 21332866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).