3-ethylnon-3-en-5-one

C11H20O — CID 14567344

IUPAC3-ethylnon-3-en-5-one
SMILESCCCCC(=O)C=C(CC)CC
InChIInChI=1S/C11H20O/c1-4-7-8-11(12)9-10(5-2)6-3/h9H,4-8H2,1-3H3
InChIKeyPUUBCSUXIUWKJD-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.49
Rot. Bonds6

About 3-ethylnon-3-en-5-one

3-ethylnon-3-en-5-one (PubChem CID 14567344) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-ethylnon-3-en-5-one.

Molecular Properties

Compound Name3-ethylnon-3-en-5-one
PubChem CID14567344
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name3-ethylnon-3-en-5-one
SMILESCCCCC(=O)C=C(CC)CC
InChIInChI=1S/C11H20O/c1-4-7-8-11(12)9-10(5-2)6-3/h9H,4-8H2,1-3H3
InChIKeyPUUBCSUXIUWKJD-UHFFFAOYSA-N
XLogP3.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methyloct-2-en-4-one
CID 29838
3-hydroxy-2-methylnon-3-en-5-one
CID 140897674
3-ethyl-N,N-dimethylhept-2-enamide
CID 71421638
(Z)-12-methylhenicos-11-en-10-one
CID 122379193
(Z)-11-hydroxynonadec-10-en-9-one
CID 58983053
(Z)-7-hydroxyhexacos-7-en-9-one
CID 122377980
1-amino-8-butyldodeca-7,11-dien-6-one
CID 123487702
(E)-3-ethylundec-2-enoic acid
CID 19989078
3-ethylhept-2-enal
CID 3746606
non-3-ene-2,5-dione
CID 71327386
3-(ethylamino)undec-3-en-5-one
CID 71405997
N-[2-(propanoylamino)ethyl]pentanamide
CID 108542545

Frequently Asked Questions

What is the IUPAC name of 3-ethylnon-3-en-5-one?
The IUPAC name of 3-ethylnon-3-en-5-one (CID 14567344) is 3-ethylnon-3-en-5-one.
What is the SMILES notation for 3-ethylnon-3-en-5-one?
The canonical SMILES for 3-ethylnon-3-en-5-one is CCCCC(=O)C=C(CC)CC.
What is the InChIKey of 3-ethylnon-3-en-5-one?
The InChIKey is PUUBCSUXIUWKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-4-7-8-11(12)9-10(5-2)6-3/h9H,4-8H2,1-3H3.
What are the key properties of 3-ethylnon-3-en-5-one?
3-ethylnon-3-en-5-one has a molecular weight of 168.28 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylnon-3-en-5-one is sourced from PubChem (CID 14567344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).