2,6-diethylcyclohex-3-en-1-one

C10H16O — CID 141383982

IUPAC2,6-diethylcyclohex-3-en-1-one
SMILESCCC1C=CCC(CC)C1=O
InChIInChI=1S/C10H16O/c1-3-8-6-5-7-9(4-2)10(8)11/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyQULURCCEHZWBGH-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.57
Rot. Bonds2

About 2,6-diethylcyclohex-3-en-1-one

2,6-diethylcyclohex-3-en-1-one (PubChem CID 141383982) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is 2,6-diethylcyclohex-3-en-1-one.

Molecular Properties

Compound Name2,6-diethylcyclohex-3-en-1-one
PubChem CID141383982
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name2,6-diethylcyclohex-3-en-1-one
SMILESCCC1C=CCC(CC)C1=O
InChIInChI=1S/C10H16O/c1-3-8-6-5-7-9(4-2)10(8)11/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyQULURCCEHZWBGH-UHFFFAOYSA-N
XLogP2.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
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

(2R)-2-ethylcyclohept-4-en-1-one
CID 12064651
4,8-diethyl-4,8-dihydronaphthalene-1,5-dione
CID 174772232
6-ethylcyclohexa-1,3-dien-1-ol
CID 143062625
1,6-diethylcyclohexa-1,4-diene
CID 90936968
4-ethyl-4,5,6,7-tetrahydro-1H-indene
CID 22388845
6-ethyl-5-methylcyclohex-3-en-1-one
CID 163600534
(4aS,5S,8aS)-5-ethyl-2,3,4a,5,8,8a-hexahydronaphthalene-1,4-dione
CID 102009345
5-hydroxy-6-propylidenecyclohex-3-en-1-one
CID 91340895
(1S,4aS,4bS,8S,8aS,9aS)-1,8-dimethyl-1,4,4a,4b,5,8,8a,9a-octahydrofluoren-9-one
CID 10910958
2-ethyl-4-methylcyclopentan-1-one
CID 12501280
(1S,8aS)-1-ethyl-3-oxo-1,5,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyridine-5-carboxylic acid
CID 11275850
4-ethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
CID 54179901

Frequently Asked Questions

What is the IUPAC name of 2,6-diethylcyclohex-3-en-1-one?
The IUPAC name of 2,6-diethylcyclohex-3-en-1-one (CID 141383982) is 2,6-diethylcyclohex-3-en-1-one.
What is the SMILES notation for 2,6-diethylcyclohex-3-en-1-one?
The canonical SMILES for 2,6-diethylcyclohex-3-en-1-one is CCC1C=CCC(CC)C1=O.
What is the InChIKey of 2,6-diethylcyclohex-3-en-1-one?
The InChIKey is QULURCCEHZWBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O/c1-3-8-6-5-7-9(4-2)10(8)11/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of 2,6-diethylcyclohex-3-en-1-one?
2,6-diethylcyclohex-3-en-1-one has a molecular weight of 152.24 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethylcyclohex-3-en-1-one is sourced from PubChem (CID 141383982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).