2-ethyl-6-methoxyoxan-4-one

C8H14O3 — CID 130028284

IUPAC2-ethyl-6-methoxyoxan-4-one
SMILESCCC1CC(=O)CC(OC)O1
InChIInChI=1S/C8H14O3/c1-3-7-4-6(9)5-8(10-2)11-7/h7-8H,3-5H2,1-2H3
InChIKeyZLWWYFFUVPHAJS-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.12
Rot. Bonds2

About 2-ethyl-6-methoxyoxan-4-one

2-ethyl-6-methoxyoxan-4-one (PubChem CID 130028284) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 2-ethyl-6-methoxyoxan-4-one.

Molecular Properties

Compound Name2-ethyl-6-methoxyoxan-4-one
PubChem CID130028284
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name2-ethyl-6-methoxyoxan-4-one
SMILESCCC1CC(=O)CC(OC)O1
InChIInChI=1S/C8H14O3/c1-3-7-4-6(9)5-8(10-2)11-7/h7-8H,3-5H2,1-2H3
InChIKeyZLWWYFFUVPHAJS-UHFFFAOYSA-N
XLogP1.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methoxyoxan-4-one?
The IUPAC name of 2-ethyl-6-methoxyoxan-4-one (CID 130028284) is 2-ethyl-6-methoxyoxan-4-one.
What is the SMILES notation for 2-ethyl-6-methoxyoxan-4-one?
The canonical SMILES for 2-ethyl-6-methoxyoxan-4-one is CCC1CC(=O)CC(OC)O1.
What is the InChIKey of 2-ethyl-6-methoxyoxan-4-one?
The InChIKey is ZLWWYFFUVPHAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-3-7-4-6(9)5-8(10-2)11-7/h7-8H,3-5H2,1-2H3.
What are the key properties of 2-ethyl-6-methoxyoxan-4-one?
2-ethyl-6-methoxyoxan-4-one has a molecular weight of 158.20 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methoxyoxan-4-one is sourced from PubChem (CID 130028284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).