(3-ethylcyclohexyl)-(3-methylthiophen-2-yl)methanone

C14H20OS — CID 79990878

IUPAC(3-ethylcyclohexyl)-(3-methylthiophen-2-yl)methanone
SMILESCCC1CCCC(C(=O)c2sccc2C)C1
InChIInChI=1S/C14H20OS/c1-3-11-5-4-6-12(9-11)13(15)14-10(2)7-8-16-14/h7-8,11-12H,3-6,9H2,1-2H3
InChIKeyKICIRIMGKHZVKN-UHFFFAOYSA-N
MW236.38 g/mol
LogP4.46
Rot. Bonds3

About (3-ethylcyclohexyl)-(3-methylthiophen-2-yl)methanone

(3-ethylcyclohexyl)-(3-methylthiophen-2-yl)methanone (PubChem CID 79990878) has the molecular formula C14H20OS and a molecular weight of 236.38 g/mol. Its IUPAC name is (3-ethylcyclohexyl)-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(3-ethylcyclohexyl)-(3-methylthiophen-2-yl)methanone
PubChem CID79990878
Molecular FormulaC14H20OS
Molecular Weight236.38 g/mol
Exact Mass236.12
IUPAC Name(3-ethylcyclohexyl)-(3-methylthiophen-2-yl)methanone
SMILESCCC1CCCC(C(=O)c2sccc2C)C1
InChIInChI=1S/C14H20OS/c1-3-11-5-4-6-12(9-11)13(15)14-10(2)7-8-16-14/h7-8,11-12H,3-6,9H2,1-2H3
InChIKeyKICIRIMGKHZVKN-UHFFFAOYSA-N
XLogP4.46
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methylcyclohexyl)-(3-methylthiophen-2-yl)methanone
CID 79991728
(5-bromo-4-methylthiophen-2-yl)-(3-ethylcyclohexyl)methanone
CID 114976416
(3-ethylcyclohexyl)-(4-fluoro-2-methylphenyl)methanone
CID 65401304
N-(cyclobutylmethyl)-3-methylthiophene-2-carboxamide
CID 94169217
cyclopentyl-(3-ethylthiophen-2-yl)methanone
CID 114962290
(3-ethylcyclohexyl)-(2-ethylphenyl)methanone
CID 114976419
(3-ethylcyclohexyl)-(4-ethylthiadiazol-5-yl)methanone
CID 105106758
(3-bromo-2-methylphenyl)-(3-ethylcyclohexyl)methanone
CID 114976475
(3-ethylcyclohexyl)-pyridazin-4-ylmethanone
CID 105106676
(3-ethylcyclohexyl)-(4-methylsulfanylphenyl)methanone
CID 114976485
(3-ethylcyclohexyl)-(4-propylphenyl)methanone
CID 65402525
(2-amino-5-methylphenyl)-(3-ethylcyclohexyl)methanone
CID 116581278

Frequently Asked Questions

What is the IUPAC name of (3-ethylcyclohexyl)-(3-methylthiophen-2-yl)methanone?
The IUPAC name of (3-ethylcyclohexyl)-(3-methylthiophen-2-yl)methanone (CID 79990878) is (3-ethylcyclohexyl)-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for (3-ethylcyclohexyl)-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for (3-ethylcyclohexyl)-(3-methylthiophen-2-yl)methanone is CCC1CCCC(C(=O)c2sccc2C)C1.
What is the InChIKey of (3-ethylcyclohexyl)-(3-methylthiophen-2-yl)methanone?
The InChIKey is KICIRIMGKHZVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20OS/c1-3-11-5-4-6-12(9-11)13(15)14-10(2)7-8-16-14/h7-8,11-12H,3-6,9H2,1-2H3.
What are the key properties of (3-ethylcyclohexyl)-(3-methylthiophen-2-yl)methanone?
(3-ethylcyclohexyl)-(3-methylthiophen-2-yl)methanone has a molecular weight of 236.38 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylcyclohexyl)-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 79990878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).