2-ethyl-1-(4-ethylcyclohexyl)but-2-en-1-one

C14H24O — CID 103447479

IUPAC2-ethyl-1-(4-ethylcyclohexyl)but-2-en-1-one
SMILESCC=C(CC)C(=O)C1CCC(CC)CC1
InChIInChI=1S/C14H24O/c1-4-11-7-9-13(10-8-11)14(15)12(5-2)6-3/h5,11,13H,4,6-10H2,1-3H3
InChIKeyZTXMVSYGCMEJMA-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.13
Rot. Bonds4

About 2-ethyl-1-(4-ethylcyclohexyl)but-2-en-1-one

2-ethyl-1-(4-ethylcyclohexyl)but-2-en-1-one (PubChem CID 103447479) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 2-ethyl-1-(4-ethylcyclohexyl)but-2-en-1-one.

Molecular Properties

Compound Name2-ethyl-1-(4-ethylcyclohexyl)but-2-en-1-one
PubChem CID103447479
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name2-ethyl-1-(4-ethylcyclohexyl)but-2-en-1-one
SMILESCC=C(CC)C(=O)C1CCC(CC)CC1
InChIInChI=1S/C14H24O/c1-4-11-7-9-13(10-8-11)14(15)12(5-2)6-3/h5,11,13H,4,6-10H2,1-3H3
InChIKeyZTXMVSYGCMEJMA-UHFFFAOYSA-N
XLogP4.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.13
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

(E)-1-cyclohexyl-2-ethylbut-2-en-1-one
CID 24977366
cyclopropanecarboxylic acid;ethylcyclopropane
CID 70624610
4-ethylcyclohexane-1-carboxylic acid;hydrochloride
CID 67721587
(E)-1-(4-ethylcyclohexyl)pent-2-en-1-one
CID 103454295
acetic acid;ethylcyclopropane
CID 175213909
2-bromo-1-(4-ethylcyclohexyl)ethanone
CID 130606092
methyl 4-ethylcyclohexane-1-carboxylate;hydrochloride
CID 163685796
1-(4-ethylcyclohexyl)hex-5-en-1-one
CID 65393301
2-(4-ethylcyclohexyl)prop-1-ene-1,3-diol
CID 139627974
(2E)-1-cyclopentyl-2-(ethoxymethylidene)butan-1-one
CID 165483859
2-amino-1-(4-ethylcyclohexyl)-2-methylpropan-1-one
CID 116560204
1-(4-ethylcyclohexyl)-3-methylbutan-1-one
CID 64773765

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-ethylcyclohexyl)but-2-en-1-one?
The IUPAC name of 2-ethyl-1-(4-ethylcyclohexyl)but-2-en-1-one (CID 103447479) is 2-ethyl-1-(4-ethylcyclohexyl)but-2-en-1-one.
What is the SMILES notation for 2-ethyl-1-(4-ethylcyclohexyl)but-2-en-1-one?
The canonical SMILES for 2-ethyl-1-(4-ethylcyclohexyl)but-2-en-1-one is CC=C(CC)C(=O)C1CCC(CC)CC1.
What is the InChIKey of 2-ethyl-1-(4-ethylcyclohexyl)but-2-en-1-one?
The InChIKey is ZTXMVSYGCMEJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-4-11-7-9-13(10-8-11)14(15)12(5-2)6-3/h5,11,13H,4,6-10H2,1-3H3.
What are the key properties of 2-ethyl-1-(4-ethylcyclohexyl)but-2-en-1-one?
2-ethyl-1-(4-ethylcyclohexyl)but-2-en-1-one has a molecular weight of 208.34 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-ethylcyclohexyl)but-2-en-1-one is sourced from PubChem (CID 103447479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).