3-ethyl-3-methyloxane

C8H16O — CID 59882276

IUPAC3-ethyl-3-methyloxane
SMILESCCC1(C)CCCOC1
InChIInChI=1S/C8H16O/c1-3-8(2)5-4-6-9-7-8/h3-7H2,1-2H3
InChIKeyABDHWDBMSXEWKW-UHFFFAOYSA-N
MW128.22 g/mol
LogP2.21
Rot. Bonds1

About 3-ethyl-3-methyloxane

3-ethyl-3-methyloxane (PubChem CID 59882276) has the molecular formula C8H16O and a molecular weight of 128.22 g/mol. Its IUPAC name is 3-ethyl-3-methyloxane.

Molecular Properties

Compound Name3-ethyl-3-methyloxane
PubChem CID59882276
Molecular FormulaC8H16O
Molecular Weight128.22 g/mol
Exact Mass128.12
IUPAC Name3-ethyl-3-methyloxane
SMILESCCC1(C)CCCOC1
InChIInChI=1S/C8H16O/c1-3-8(2)5-4-6-9-7-8/h3-7H2,1-2H3
InChIKeyABDHWDBMSXEWKW-UHFFFAOYSA-N
XLogP2.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methyloxane?
The IUPAC name of 3-ethyl-3-methyloxane (CID 59882276) is 3-ethyl-3-methyloxane.
What is the SMILES notation for 3-ethyl-3-methyloxane?
The canonical SMILES for 3-ethyl-3-methyloxane is CCC1(C)CCCOC1.
What is the InChIKey of 3-ethyl-3-methyloxane?
The InChIKey is ABDHWDBMSXEWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-3-8(2)5-4-6-9-7-8/h3-7H2,1-2H3.
What are the key properties of 3-ethyl-3-methyloxane?
3-ethyl-3-methyloxane has a molecular weight of 128.22 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methyloxane is sourced from PubChem (CID 59882276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).