5-ethyloxepan-2-one

C8H14O2 — CID 11446392

IUPAC5-ethyloxepan-2-one
SMILESCCC1CCOC(=O)CC1
InChIInChI=1S/C8H14O2/c1-2-7-3-4-8(9)10-6-5-7/h7H,2-6H2,1H3
InChIKeyNXXGFOJIOQXPDY-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.74
Rot. Bonds1

About 5-ethyloxepan-2-one

5-ethyloxepan-2-one (PubChem CID 11446392) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 5-ethyloxepan-2-one.

Molecular Properties

Compound Name5-ethyloxepan-2-one
PubChem CID11446392
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name5-ethyloxepan-2-one
SMILESCCC1CCOC(=O)CC1
InChIInChI=1S/C8H14O2/c1-2-7-3-4-8(9)10-6-5-7/h7H,2-6H2,1H3
InChIKeyNXXGFOJIOQXPDY-UHFFFAOYSA-N
XLogP1.74
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 ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyloxepan-2-one?
The IUPAC name of 5-ethyloxepan-2-one (CID 11446392) is 5-ethyloxepan-2-one.
What is the SMILES notation for 5-ethyloxepan-2-one?
The canonical SMILES for 5-ethyloxepan-2-one is CCC1CCOC(=O)CC1.
What is the InChIKey of 5-ethyloxepan-2-one?
The InChIKey is NXXGFOJIOQXPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-2-7-3-4-8(9)10-6-5-7/h7H,2-6H2,1H3.
What are the key properties of 5-ethyloxepan-2-one?
5-ethyloxepan-2-one has a molecular weight of 142.20 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyloxepan-2-one is sourced from PubChem (CID 11446392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).