3,5-dimethyl-1-(2-thiophen-2-ylethyl)cyclohexan-1-ol

C14H22OS — CID 65153793

IUPAC3,5-dimethyl-1-(2-thiophen-2-ylethyl)cyclohexan-1-ol
SMILESCC1CC(C)CC(O)(CCc2cccs2)C1
InChIInChI=1S/C14H22OS/c1-11-8-12(2)10-14(15,9-11)6-5-13-4-3-7-16-13/h3-4,7,11-12,15H,5-6,8-10H2,1-2H3
InChIKeyMHKKJNFWRIWVFZ-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.87
Rot. Bonds3

About 3,5-dimethyl-1-(2-thiophen-2-ylethyl)cyclohexan-1-ol

3,5-dimethyl-1-(2-thiophen-2-ylethyl)cyclohexan-1-ol (PubChem CID 65153793) has the molecular formula C14H22OS and a molecular weight of 238.40 g/mol. Its IUPAC name is 3,5-dimethyl-1-(2-thiophen-2-ylethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3,5-dimethyl-1-(2-thiophen-2-ylethyl)cyclohexan-1-ol
PubChem CID65153793
Molecular FormulaC14H22OS
Molecular Weight238.40 g/mol
Exact Mass238.14
IUPAC Name3,5-dimethyl-1-(2-thiophen-2-ylethyl)cyclohexan-1-ol
SMILESCC1CC(C)CC(O)(CCc2cccs2)C1
InChIInChI=1S/C14H22OS/c1-11-8-12(2)10-14(15,9-11)6-5-13-4-3-7-16-13/h3-4,7,11-12,15H,5-6,8-10H2,1-2H3
InChIKeyMHKKJNFWRIWVFZ-UHFFFAOYSA-N
XLogP3.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-1-(thiophen-2-ylmethylamino)cyclohexane-1-carboxylic acid
CID 64752302
2-methyl-4-(thiophen-2-ylmethyl)oxan-4-ol
CID 65149523
2,4-dimethyl-1-(thiophen-2-ylmethyl)cyclohexan-1-ol
CID 65154121
2-(2-thiophen-2-ylethyl)bicyclo[2.2.1]heptan-2-amine
CID 65020002
1-(2-methylcyclopropyl)-3-thiophen-2-ylpropan-1-amine
CID 65422765
1-[1-(2-thiophen-2-ylethyl)cyclopropyl]ethanol
CID 106798156
3-amino-1-(2-thiophen-2-ylethyl)-2,3-dihydroinden-1-ol
CID 107089609
7,9-dimethyl-1-(thiophen-2-ylmethyl)-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79520782
2-(3,5-dimethylpiperidin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 75858751
1-(aminomethyl)-N-cyclopropyl-2,5-dimethyl-N-(thiophen-2-ylmethyl)cyclohexan-1-amine
CID 64762159
4-methyl-1-(thiophen-2-ylmethyl)cyclohex-2-en-1-ol
CID 165491706
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]ethanone
CID 95761889

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(2-thiophen-2-ylethyl)cyclohexan-1-ol?
The IUPAC name of 3,5-dimethyl-1-(2-thiophen-2-ylethyl)cyclohexan-1-ol (CID 65153793) is 3,5-dimethyl-1-(2-thiophen-2-ylethyl)cyclohexan-1-ol.
What is the SMILES notation for 3,5-dimethyl-1-(2-thiophen-2-ylethyl)cyclohexan-1-ol?
The canonical SMILES for 3,5-dimethyl-1-(2-thiophen-2-ylethyl)cyclohexan-1-ol is CC1CC(C)CC(O)(CCc2cccs2)C1.
What is the InChIKey of 3,5-dimethyl-1-(2-thiophen-2-ylethyl)cyclohexan-1-ol?
The InChIKey is MHKKJNFWRIWVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22OS/c1-11-8-12(2)10-14(15,9-11)6-5-13-4-3-7-16-13/h3-4,7,11-12,15H,5-6,8-10H2,1-2H3.
What are the key properties of 3,5-dimethyl-1-(2-thiophen-2-ylethyl)cyclohexan-1-ol?
3,5-dimethyl-1-(2-thiophen-2-ylethyl)cyclohexan-1-ol has a molecular weight of 238.40 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(2-thiophen-2-ylethyl)cyclohexan-1-ol is sourced from PubChem (CID 65153793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).