1-(4-ethylcyclohexyl)-2-methylsulfanylethanone

C11H20OS — CID 64775004

IUPAC1-(4-ethylcyclohexyl)-2-methylsulfanylethanone
SMILESCCC1CCC(C(=O)CSC)CC1
InChIInChI=1S/C11H20OS/c1-3-9-4-6-10(7-5-9)11(12)8-13-2/h9-10H,3-8H2,1-2H3
InChIKeyKPOQJLMUKZEIPW-UHFFFAOYSA-N
MW200.35 g/mol
LogP3.13
Rot. Bonds4

About 1-(4-ethylcyclohexyl)-2-methylsulfanylethanone

1-(4-ethylcyclohexyl)-2-methylsulfanylethanone (PubChem CID 64775004) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-2-methylsulfanylethanone.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-2-methylsulfanylethanone
PubChem CID64775004
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name1-(4-ethylcyclohexyl)-2-methylsulfanylethanone
SMILESCCC1CCC(C(=O)CSC)CC1
InChIInChI=1S/C11H20OS/c1-3-9-4-6-10(7-5-9)11(12)8-13-2/h9-10H,3-8H2,1-2H3
InChIKeyKPOQJLMUKZEIPW-UHFFFAOYSA-N
XLogP3.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexylsulfanyl-1-(4-ethylcyclohexyl)ethanone
CID 65139373
2-bromo-1-(4-ethylcyclohexyl)ethanone
CID 130606092
1-(4-ethylcyclohexyl)-3-methylbutan-1-one
CID 64773765
cyclopropanecarboxylic acid;ethylcyclopropane
CID 70624610
1-cyclopropyl-2-(4-ethylpiperidin-1-yl)ethanone
CID 63913438
1-cyclopropyl-2-ethylsulfanylethanone
CID 63907128
4-ethylcyclohexane-1-carboxylic acid;hydrochloride
CID 67721587
2-(2-bromophenyl)sulfanyl-1-(4-ethylcyclohexyl)ethanone
CID 66144817
1-(4-ethylcyclohexyl)-2-piperidin-4-ylethanone
CID 116559958
1-(azepan-4-yl)-2-methylsulfanylethanone
CID 115017399
acetic acid;ethylcyclopropane
CID 175213909
1-[1-(methoxymethyl)piperidin-4-yl]-2-methylsulfanylethanone
CID 158847612

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-2-methylsulfanylethanone?
The IUPAC name of 1-(4-ethylcyclohexyl)-2-methylsulfanylethanone (CID 64775004) is 1-(4-ethylcyclohexyl)-2-methylsulfanylethanone.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-2-methylsulfanylethanone?
The canonical SMILES for 1-(4-ethylcyclohexyl)-2-methylsulfanylethanone is CCC1CCC(C(=O)CSC)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-2-methylsulfanylethanone?
The InChIKey is KPOQJLMUKZEIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OS/c1-3-9-4-6-10(7-5-9)11(12)8-13-2/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-(4-ethylcyclohexyl)-2-methylsulfanylethanone?
1-(4-ethylcyclohexyl)-2-methylsulfanylethanone has a molecular weight of 200.35 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-2-methylsulfanylethanone is sourced from PubChem (CID 64775004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).