4-ethylhept-6-en-3-one

C9H16O — CID 15273629

IUPAC4-ethylhept-6-en-3-one
SMILESC=CCC(CC)C(=O)CC
InChIInChI=1S/C9H16O/c1-4-7-8(5-2)9(10)6-3/h4,8H,1,5-7H2,2-3H3
InChIKeySUOMOGSVQCEXBO-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.57
Rot. Bonds5

About 4-ethylhept-6-en-3-one

4-ethylhept-6-en-3-one (PubChem CID 15273629) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 4-ethylhept-6-en-3-one.

Molecular Properties

Compound Name4-ethylhept-6-en-3-one
PubChem CID15273629
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name4-ethylhept-6-en-3-one
SMILESC=CCC(CC)C(=O)CC
InChIInChI=1S/C9H16O/c1-4-7-8(5-2)9(10)6-3/h4,8H,1,5-7H2,2-3H3
InChIKeySUOMOGSVQCEXBO-UHFFFAOYSA-N
XLogP2.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-Octen-3-one, 4,7-dimethyl-
CID 102844
2,6-Dimethyloct-7-en-4-one
CID 102706
4-Methyl-6-hepten-3-one
CID 117297
Ipsenone
CID 12402006
4-Acetylcyclohexene
CID 239587
2,7-Dimethyloct-6-en-3-one
CID 14921872
4-Methyl-1-hepten-3-one
CID 53807856
2-Methyl-6-methylene-7-octen-3-one
CID 85845089
2,6-Dimethyl-7-octen-3-one
CID 14682370
7-Octen-3-one, 4,6-dimethyl-
CID 112641
2,4-Pentanedione, 3-(2-propenyl)-
CID 19023
5-Hexen-2-one, 3-(2-propenyl)-
CID 11355514

Frequently Asked Questions

What is the IUPAC name of 4-ethylhept-6-en-3-one?
The IUPAC name of 4-ethylhept-6-en-3-one (CID 15273629) is 4-ethylhept-6-en-3-one.
What is the SMILES notation for 4-ethylhept-6-en-3-one?
The canonical SMILES for 4-ethylhept-6-en-3-one is C=CCC(CC)C(=O)CC.
What is the InChIKey of 4-ethylhept-6-en-3-one?
The InChIKey is SUOMOGSVQCEXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-4-7-8(5-2)9(10)6-3/h4,8H,1,5-7H2,2-3H3.
What are the key properties of 4-ethylhept-6-en-3-one?
4-ethylhept-6-en-3-one has a molecular weight of 140.23 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylhept-6-en-3-one is sourced from PubChem (CID 15273629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).