1-(2,2-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)ethanol

C16H26OS — CID 107192144

IUPAC1-(2,2-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)ethanol
SMILESCCc1ccc(CC(O)C2CCCCC2(C)C)s1
InChIInChI=1S/C16H26OS/c1-4-12-8-9-13(18-12)11-15(17)14-7-5-6-10-16(14,2)3/h8-9,14-15,17H,4-7,10-11H2,1-3H3
InChIKeyNSBJLDHOHXEYIL-UHFFFAOYSA-N
MW266.45 g/mol
LogP4.43
Rot. Bonds4

About 1-(2,2-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)ethanol

1-(2,2-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)ethanol (PubChem CID 107192144) has the molecular formula C16H26OS and a molecular weight of 266.45 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)ethanol.

Molecular Properties

Compound Name1-(2,2-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)ethanol
PubChem CID107192144
Molecular FormulaC16H26OS
Molecular Weight266.45 g/mol
Exact Mass266.17
IUPAC Name1-(2,2-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)ethanol
SMILESCCc1ccc(CC(O)C2CCCCC2(C)C)s1
InChIInChI=1S/C16H26OS/c1-4-12-8-9-13(18-12)11-15(17)14-7-5-6-10-16(14,2)3/h8-9,14-15,17H,4-7,10-11H2,1-3H3
InChIKeyNSBJLDHOHXEYIL-UHFFFAOYSA-N
XLogP4.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.45
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,2-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 107188294
1-cyclobutyl-2-(5-ethylthiophen-2-yl)ethanol
CID 64986887
1-(2,2-dimethylcyclohexyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 107192689
2-(4-tert-butylphenyl)-1-(2,2-dimethylcyclohexyl)ethanol
CID 107192147
2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclohexyl)ethanol
CID 107192076
2-(5-ethylthiophen-2-yl)-1-pyrrolidin-2-ylethanol
CID 106639830
1-(2,2-dimethylcyclopentyl)-2-(furan-3-yl)ethanol
CID 107192815
1-(2,2-dimethylcyclohexyl)-3-ethylpentan-1-ol
CID 107192806
1-(4,4-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 65391425
2-(5-ethylthiophen-2-yl)-1-(1-methoxycycloheptyl)ethanol
CID 116755831
2-(5-chlorothiophen-2-yl)-1-(2,2-dimethylcyclopentyl)-N-methylethanamine
CID 107188272
1-cyclohexylsulfanyl-3-(5-ethylthiophen-2-yl)propan-2-ol
CID 65139689

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)ethanol?
The IUPAC name of 1-(2,2-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)ethanol (CID 107192144) is 1-(2,2-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)ethanol.
What is the SMILES notation for 1-(2,2-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)ethanol?
The canonical SMILES for 1-(2,2-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)ethanol is CCc1ccc(CC(O)C2CCCCC2(C)C)s1.
What is the InChIKey of 1-(2,2-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)ethanol?
The InChIKey is NSBJLDHOHXEYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26OS/c1-4-12-8-9-13(18-12)11-15(17)14-7-5-6-10-16(14,2)3/h8-9,14-15,17H,4-7,10-11H2,1-3H3.
What are the key properties of 1-(2,2-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)ethanol?
1-(2,2-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)ethanol has a molecular weight of 266.45 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)ethanol is sourced from PubChem (CID 107192144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).