3-ethyl-3-methoxyoxane

C8H16O2 — CID 164557651

IUPAC3-ethyl-3-methoxyoxane
SMILESCCC1(OC)CCCOC1
InChIInChI=1S/C8H16O2/c1-3-8(9-2)5-4-6-10-7-8/h3-7H2,1-2H3
InChIKeyKSLKXGGUCGYCKU-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.59
Rot. Bonds2

About 3-ethyl-3-methoxyoxane

3-ethyl-3-methoxyoxane (PubChem CID 164557651) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 3-ethyl-3-methoxyoxane.

Molecular Properties

Compound Name3-ethyl-3-methoxyoxane
PubChem CID164557651
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name3-ethyl-3-methoxyoxane
SMILESCCC1(OC)CCCOC1
InChIInChI=1S/C8H16O2/c1-3-8(9-2)5-4-6-10-7-8/h3-7H2,1-2H3
InChIKeyKSLKXGGUCGYCKU-UHFFFAOYSA-N
XLogP1.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-Diethyl-1,4-dioxane
CID 20316221
2,2-Dibutyl-1,4-dioxane
CID 90108833
1,4-Di-oxaspiro[5,4]decane
CID 118209792
2-Ethylenedioxy-5-methylheptane
CID 129811787
2-Butyl-2-ethyl-1,4-dioxane
CID 240150
3-Methoxy-2,4,5,6-tetramethyloxane
CID 20665553
3,4-Dimethoxy-2,5,6-trimethyloxane
CID 20816379
3,5-Dimethoxy-2,4,6-trimethyloxane
CID 20816380
4-(Methoxymethyl)-2-methyloxane
CID 54041592
2-(2-Methylbutyl)-1,4-dioxane
CID 56991931
3-Butoxy-4-(2-methylpropyl)oxane
CID 57001488
3,5-Dimethyl-2-(2-methylbutyl)-1,4-dioxane
CID 57144082

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methoxyoxane?
The IUPAC name of 3-ethyl-3-methoxyoxane (CID 164557651) is 3-ethyl-3-methoxyoxane.
What is the SMILES notation for 3-ethyl-3-methoxyoxane?
The canonical SMILES for 3-ethyl-3-methoxyoxane is CCC1(OC)CCCOC1.
What is the InChIKey of 3-ethyl-3-methoxyoxane?
The InChIKey is KSLKXGGUCGYCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-3-8(9-2)5-4-6-10-7-8/h3-7H2,1-2H3.
What are the key properties of 3-ethyl-3-methoxyoxane?
3-ethyl-3-methoxyoxane has a molecular weight of 144.21 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methoxyoxane is sourced from PubChem (CID 164557651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).