3-ethyl-2,6-dimethyloxane

C9H18O — CID 54145589

IUPAC3-ethyl-2,6-dimethyloxane
SMILESCCC1CCC(C)OC1C
InChIInChI=1S/C9H18O/c1-4-9-6-5-7(2)10-8(9)3/h7-9H,4-6H2,1-3H3
InChIKeyDPMGFMZSBKWYJL-UHFFFAOYSA-N
MW142.24 g/mol
LogP2.60
Rot. Bonds1

About 3-ethyl-2,6-dimethyloxane

3-ethyl-2,6-dimethyloxane (PubChem CID 54145589) has the molecular formula C9H18O and a molecular weight of 142.24 g/mol. Its IUPAC name is 3-ethyl-2,6-dimethyloxane.

Molecular Properties

Compound Name3-ethyl-2,6-dimethyloxane
PubChem CID54145589
Molecular FormulaC9H18O
Molecular Weight142.24 g/mol
Exact Mass142.14
IUPAC Name3-ethyl-2,6-dimethyloxane
SMILESCCC1CCC(C)OC1C
InChIInChI=1S/C9H18O/c1-4-9-6-5-7(2)10-8(9)3/h7-9H,4-6H2,1-3H3
InChIKeyDPMGFMZSBKWYJL-UHFFFAOYSA-N
XLogP2.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.24
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,6-dimethyloxane?
The IUPAC name of 3-ethyl-2,6-dimethyloxane (CID 54145589) is 3-ethyl-2,6-dimethyloxane.
What is the SMILES notation for 3-ethyl-2,6-dimethyloxane?
The canonical SMILES for 3-ethyl-2,6-dimethyloxane is CCC1CCC(C)OC1C.
What is the InChIKey of 3-ethyl-2,6-dimethyloxane?
The InChIKey is DPMGFMZSBKWYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O/c1-4-9-6-5-7(2)10-8(9)3/h7-9H,4-6H2,1-3H3.
What are the key properties of 3-ethyl-2,6-dimethyloxane?
3-ethyl-2,6-dimethyloxane has a molecular weight of 142.24 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,6-dimethyloxane is sourced from PubChem (CID 54145589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).