3-ethyl-1-(2-thiophen-2-ylethyl)cyclohexane-1-carboxylic acid

C15H22O2S — CID 65402707

IUPAC3-ethyl-1-(2-thiophen-2-ylethyl)cyclohexane-1-carboxylic acid
SMILESCCC1CCCC(CCc2cccs2)(C(=O)O)C1
InChIInChI=1S/C15H22O2S/c1-2-12-5-3-8-15(11-12,14(16)17)9-7-13-6-4-10-18-13/h4,6,10,12H,2-3,5,7-9,11H2,1H3,(H,16,17)
InChIKeyAKSQTNJUNXLVER-UHFFFAOYSA-N
MW266.41 g/mol
LogP4.35
Rot. Bonds5

About 3-ethyl-1-(2-thiophen-2-ylethyl)cyclohexane-1-carboxylic acid

3-ethyl-1-(2-thiophen-2-ylethyl)cyclohexane-1-carboxylic acid (PubChem CID 65402707) has the molecular formula C15H22O2S and a molecular weight of 266.41 g/mol. Its IUPAC name is 3-ethyl-1-(2-thiophen-2-ylethyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-ethyl-1-(2-thiophen-2-ylethyl)cyclohexane-1-carboxylic acid
PubChem CID65402707
Molecular FormulaC15H22O2S
Molecular Weight266.41 g/mol
Exact Mass266.13
IUPAC Name3-ethyl-1-(2-thiophen-2-ylethyl)cyclohexane-1-carboxylic acid
SMILESCCC1CCCC(CCc2cccs2)(C(=O)O)C1
InChIInChI=1S/C15H22O2S/c1-2-12-5-3-8-15(11-12,14(16)17)9-7-13-6-4-10-18-13/h4,6,10,12H,2-3,5,7-9,11H2,1H3,(H,16,17)
InChIKeyAKSQTNJUNXLVER-UHFFFAOYSA-N
XLogP4.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-thiophen-2-ylethyl)piperidine-4-carboxylic acid
CID 63774592
3-(2-thiophen-2-ylethyl)oxolane-3-carboxylic acid
CID 63774395
3-ethyl-1-(3-thiophen-2-ylpropanoyl)piperidine-3-carboxylic acid
CID 63134703
4-methyl-1-(thiophen-2-ylmethyl)cyclohexane-1-carboxylic acid
CID 65394284
4-ethyl-1-(4-thiophen-2-ylbutanoyl)piperidine-4-carboxylic acid
CID 63124753
1-[[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115434442
1-(thiophen-2-ylmethylcarbamoyl)cyclobutane-1-carboxylic acid
CID 62096590
(3S)-3-(cyclopropylmethyl)-1-(thiophen-2-ylmethyl)piperidine-3-carboxylic acid
CID 97150633
4-ethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxamide
CID 54891571
4-methyl-1-(thiophen-2-ylmethylamino)cycloheptane-1-carboxylic acid
CID 65085265
3-[[ethyl(thiophen-2-ylmethyl)amino]methyl]oxane-3-carboxylic acid
CID 63745377
1-(3-cyclopentyl-2-hydroxypropyl)-3-ethylcyclohexane-1-carboxylic acid
CID 103161258

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-thiophen-2-ylethyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-ethyl-1-(2-thiophen-2-ylethyl)cyclohexane-1-carboxylic acid (CID 65402707) is 3-ethyl-1-(2-thiophen-2-ylethyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-ethyl-1-(2-thiophen-2-ylethyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-ethyl-1-(2-thiophen-2-ylethyl)cyclohexane-1-carboxylic acid is CCC1CCCC(CCc2cccs2)(C(=O)O)C1.
What is the InChIKey of 3-ethyl-1-(2-thiophen-2-ylethyl)cyclohexane-1-carboxylic acid?
The InChIKey is AKSQTNJUNXLVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2S/c1-2-12-5-3-8-15(11-12,14(16)17)9-7-13-6-4-10-18-13/h4,6,10,12H,2-3,5,7-9,11H2,1H3,(H,16,17).
What are the key properties of 3-ethyl-1-(2-thiophen-2-ylethyl)cyclohexane-1-carboxylic acid?
3-ethyl-1-(2-thiophen-2-ylethyl)cyclohexane-1-carboxylic acid has a molecular weight of 266.41 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-thiophen-2-ylethyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 65402707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).