4-ethylnon-6-en-2-one

C11H20O — CID 59068753

IUPAC4-ethylnon-6-en-2-one
SMILESCCC=CCC(CC)CC(C)=O
InChIInChI=1S/C11H20O/c1-4-6-7-8-11(5-2)9-10(3)12/h6-7,11H,4-5,8-9H2,1-3H3
InChIKeyPRPWPTDMMRXWIR-UHFFFAOYSA-N
MW168.28 g/mol
LogP3.35
Rot. Bonds6

About 4-ethylnon-6-en-2-one

4-ethylnon-6-en-2-one (PubChem CID 59068753) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 4-ethylnon-6-en-2-one.

Molecular Properties

Compound Name4-ethylnon-6-en-2-one
PubChem CID59068753
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name4-ethylnon-6-en-2-one
SMILESCCC=CCC(CC)CC(C)=O
InChIInChI=1S/C11H20O/c1-4-6-7-8-11(5-2)9-10(3)12/h6-7,11H,4-5,8-9H2,1-3H3
InChIKeyPRPWPTDMMRXWIR-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
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

4-ethylhept-6-en-2-one
CID 87771917
2-[(E)-pent-2-enyl]pentane-1,4-dione
CID 147509883
(4S)-4-ethylheptan-2-one
CID 87332428
5-ethyl-2-methyldeca-1,7-diene
CID 123598746
acetic acid;(Z)-hex-3-ene
CID 87142970
2,5-dihydroxydec-7-en-3-one
CID 159505042
(E)-2-ethylhept-4-enoate
CID 23023844
(4R)-4-hydroxyhexan-2-one;propanal;propan-2-one
CID 158804070
4,8-dimethylnon-5-en-2-one
CID 91493464
ethyl (2R)-2-ethyldocosa-4,7,10,13,16,19-hexaenoate
CID 91354101
(Z,3S)-3-(aminomethyl)-5-methyldec-7-enoic acid
CID 87482547
(6Z)-2-methyl-4-propan-2-ylnona-1,6-diene
CID 142222951

Frequently Asked Questions

What is the IUPAC name of 4-ethylnon-6-en-2-one?
The IUPAC name of 4-ethylnon-6-en-2-one (CID 59068753) is 4-ethylnon-6-en-2-one.
What is the SMILES notation for 4-ethylnon-6-en-2-one?
The canonical SMILES for 4-ethylnon-6-en-2-one is CCC=CCC(CC)CC(C)=O.
What is the InChIKey of 4-ethylnon-6-en-2-one?
The InChIKey is PRPWPTDMMRXWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-4-6-7-8-11(5-2)9-10(3)12/h6-7,11H,4-5,8-9H2,1-3H3.
What are the key properties of 4-ethylnon-6-en-2-one?
4-ethylnon-6-en-2-one has a molecular weight of 168.28 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylnon-6-en-2-one is sourced from PubChem (CID 59068753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).