2-ethyl-6-methyloxan-4-one

C8H14O2 — CID 14382741

IUPAC2-ethyl-6-methyloxan-4-one
SMILESCCC1CC(=O)CC(C)O1
InChIInChI=1S/C8H14O2/c1-3-8-5-7(9)4-6(2)10-8/h6,8H,3-5H2,1-2H3
InChIKeyXDIMWRPFHXIROZ-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.53
Rot. Bonds1

About 2-ethyl-6-methyloxan-4-one

2-ethyl-6-methyloxan-4-one (PubChem CID 14382741) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-ethyl-6-methyloxan-4-one.

Molecular Properties

Compound Name2-ethyl-6-methyloxan-4-one
PubChem CID14382741
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name2-ethyl-6-methyloxan-4-one
SMILESCCC1CC(=O)CC(C)O1
InChIInChI=1S/C8H14O2/c1-3-8-5-7(9)4-6(2)10-8/h6,8H,3-5H2,1-2H3
InChIKeyXDIMWRPFHXIROZ-UHFFFAOYSA-N
XLogP1.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyloxan-4-one?
The IUPAC name of 2-ethyl-6-methyloxan-4-one (CID 14382741) is 2-ethyl-6-methyloxan-4-one.
What is the SMILES notation for 2-ethyl-6-methyloxan-4-one?
The canonical SMILES for 2-ethyl-6-methyloxan-4-one is CCC1CC(=O)CC(C)O1.
What is the InChIKey of 2-ethyl-6-methyloxan-4-one?
The InChIKey is XDIMWRPFHXIROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-3-8-5-7(9)4-6(2)10-8/h6,8H,3-5H2,1-2H3.
What are the key properties of 2-ethyl-6-methyloxan-4-one?
2-ethyl-6-methyloxan-4-one has a molecular weight of 142.20 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyloxan-4-one is sourced from PubChem (CID 14382741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).