6-ethyl-5-methylcyclohex-3-en-1-one

C9H14O — CID 163600534

IUPAC6-ethyl-5-methylcyclohex-3-en-1-one
SMILESCCC1C(=O)CC=CC1C
InChIInChI=1S/C9H14O/c1-3-8-7(2)5-4-6-9(8)10/h4-5,7-8H,3,6H2,1-2H3
InChIKeyGXFSABBYKBCFMW-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.18
Rot. Bonds1

About 6-ethyl-5-methylcyclohex-3-en-1-one

6-ethyl-5-methylcyclohex-3-en-1-one (PubChem CID 163600534) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 6-ethyl-5-methylcyclohex-3-en-1-one.

Molecular Properties

Compound Name6-ethyl-5-methylcyclohex-3-en-1-one
PubChem CID163600534
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name6-ethyl-5-methylcyclohex-3-en-1-one
SMILESCCC1C(=O)CC=CC1C
InChIInChI=1S/C9H14O/c1-3-8-7(2)5-4-6-9(8)10/h4-5,7-8H,3,6H2,1-2H3
InChIKeyGXFSABBYKBCFMW-UHFFFAOYSA-N
XLogP2.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.18
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

5-amino-6-methylcyclohex-3-en-1-one
CID 175829218
2-methyl-2,5-dihydro-1H-pyridin-6-one
CID 55303421
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CID 123935100
2-pentylcyclopent-3-en-1-one
CID 13168677
3,4-diethylcyclobutane-1,2-dione
CID 141348046
2-ethyl-4-methyl-3-phenylcyclobutan-1-one
CID 81421315
(2S)-2-propyl-2,5-dihydro-1H-pyridin-6-one
CID 55299327
2-prop-1-en-2-ylcyclopent-3-en-1-one
CID 143471642
2,6-diethylcyclohex-3-en-1-one
CID 141383982
3-[2-[4-[2-(4-ethyl-2,5-dioxooxolan-3-yl)ethyl]-2,5-dioxooxolan-3-yl]ethyl]-4-methyloxolane-2,5-dione
CID 130186744
6-[(4-chlorophenyl)methyl]-5-hydroxycyclohex-3-en-1-one
CID 57193165
6,13-dimethyl-7,14-diphenyl-1,8-diazacyclotetradeca-4,11-diene-2,9-dione
CID 75307773

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-methylcyclohex-3-en-1-one?
The IUPAC name of 6-ethyl-5-methylcyclohex-3-en-1-one (CID 163600534) is 6-ethyl-5-methylcyclohex-3-en-1-one.
What is the SMILES notation for 6-ethyl-5-methylcyclohex-3-en-1-one?
The canonical SMILES for 6-ethyl-5-methylcyclohex-3-en-1-one is CCC1C(=O)CC=CC1C.
What is the InChIKey of 6-ethyl-5-methylcyclohex-3-en-1-one?
The InChIKey is GXFSABBYKBCFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-3-8-7(2)5-4-6-9(8)10/h4-5,7-8H,3,6H2,1-2H3.
What are the key properties of 6-ethyl-5-methylcyclohex-3-en-1-one?
6-ethyl-5-methylcyclohex-3-en-1-one has a molecular weight of 138.21 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methylcyclohex-3-en-1-one is sourced from PubChem (CID 163600534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).