2-ethyl-4-methyloxane

C8H16O — CID 54230004

IUPAC2-ethyl-4-methyloxane
SMILESCCC1CC(C)CCO1
InChIInChI=1S/C8H16O/c1-3-8-6-7(2)4-5-9-8/h7-8H,3-6H2,1-2H3
InChIKeyLEQJGLOPKLRCSU-UHFFFAOYSA-N
MW128.22 g/mol
LogP2.21
Rot. Bonds1

About 2-ethyl-4-methyloxane

2-ethyl-4-methyloxane (PubChem CID 54230004) has the molecular formula C8H16O and a molecular weight of 128.22 g/mol. Its IUPAC name is 2-ethyl-4-methyloxane.

Molecular Properties

Compound Name2-ethyl-4-methyloxane
PubChem CID54230004
Molecular FormulaC8H16O
Molecular Weight128.22 g/mol
Exact Mass128.12
IUPAC Name2-ethyl-4-methyloxane
SMILESCCC1CC(C)CCO1
InChIInChI=1S/C8H16O/c1-3-8-6-7(2)4-5-9-8/h7-8H,3-6H2,1-2H3
InChIKeyLEQJGLOPKLRCSU-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 2-ethyl-4-methyloxane?
The IUPAC name of 2-ethyl-4-methyloxane (CID 54230004) is 2-ethyl-4-methyloxane.
What is the SMILES notation for 2-ethyl-4-methyloxane?
The canonical SMILES for 2-ethyl-4-methyloxane is CCC1CC(C)CCO1.
What is the InChIKey of 2-ethyl-4-methyloxane?
The InChIKey is LEQJGLOPKLRCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-3-8-6-7(2)4-5-9-8/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-ethyl-4-methyloxane?
2-ethyl-4-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 2-ethyl-4-methyloxane is sourced from PubChem (CID 54230004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).