3-(3-ethylcyclohexyl)-5-methylthiolan-3-ol

C13H24OS — CID 79949699

IUPAC3-(3-ethylcyclohexyl)-5-methylthiolan-3-ol
SMILESCCC1CCCC(C2(O)CSC(C)C2)C1
InChIInChI=1S/C13H24OS/c1-3-11-5-4-6-12(7-11)13(14)8-10(2)15-9-13/h10-12,14H,3-9H2,1-2H3
InChIKeyQFXLLQFJTGQJKL-UHFFFAOYSA-N
MW228.40 g/mol
LogP3.46
Rot. Bonds2

About 3-(3-ethylcyclohexyl)-5-methylthiolan-3-ol

3-(3-ethylcyclohexyl)-5-methylthiolan-3-ol (PubChem CID 79949699) has the molecular formula C13H24OS and a molecular weight of 228.40 g/mol. Its IUPAC name is 3-(3-ethylcyclohexyl)-5-methylthiolan-3-ol.

Molecular Properties

Compound Name3-(3-ethylcyclohexyl)-5-methylthiolan-3-ol
PubChem CID79949699
Molecular FormulaC13H24OS
Molecular Weight228.40 g/mol
Exact Mass228.15
IUPAC Name3-(3-ethylcyclohexyl)-5-methylthiolan-3-ol
SMILESCCC1CCCC(C2(O)CSC(C)C2)C1
InChIInChI=1S/C13H24OS/c1-3-11-5-4-6-12(7-11)13(14)8-10(2)15-9-13/h10-12,14H,3-9H2,1-2H3
InChIKeyQFXLLQFJTGQJKL-UHFFFAOYSA-N
XLogP3.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(3-ethylcyclohexyl)cyclopentan-1-ol
CID 80562979
3-(3-ethylcyclohexyl)-4,4-dimethylthian-3-ol
CID 79956343
trans-(1S,3S)-1-ethyl-3-methylcyclohexane
CID 23620235
1-(3-ethylcyclohexyl)-3,4-dimethylcyclohexan-1-amine
CID 64733394
1-(3-ethylcyclohexyl)-4-methylcyclohexane-1-carboxylic acid
CID 79425098
1-(3-ethylcyclohexyl)cyclopentane-1-carboxylic acid
CID 79425993
1-(3-ethylcyclohexyl)-4,4-dimethylcyclohexane-1-carboxylic acid
CID 79429223
1-ethyl-3-propylcyclohexane
CID 22129036
[(1S,3R)-3-ethylcyclohexyl]methanol
CID 14940078
1-cycloheptyl-4-ethylcycloheptan-1-ol
CID 82929121
1-(2-cyclobutylethyl)-3-ethylcyclobutane
CID 123886657
(4-ethyl-1-methylpiperidin-2-yl)methanol
CID 170083810

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylcyclohexyl)-5-methylthiolan-3-ol?
The IUPAC name of 3-(3-ethylcyclohexyl)-5-methylthiolan-3-ol (CID 79949699) is 3-(3-ethylcyclohexyl)-5-methylthiolan-3-ol.
What is the SMILES notation for 3-(3-ethylcyclohexyl)-5-methylthiolan-3-ol?
The canonical SMILES for 3-(3-ethylcyclohexyl)-5-methylthiolan-3-ol is CCC1CCCC(C2(O)CSC(C)C2)C1.
What is the InChIKey of 3-(3-ethylcyclohexyl)-5-methylthiolan-3-ol?
The InChIKey is QFXLLQFJTGQJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24OS/c1-3-11-5-4-6-12(7-11)13(14)8-10(2)15-9-13/h10-12,14H,3-9H2,1-2H3.
What are the key properties of 3-(3-ethylcyclohexyl)-5-methylthiolan-3-ol?
3-(3-ethylcyclohexyl)-5-methylthiolan-3-ol has a molecular weight of 228.40 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylcyclohexyl)-5-methylthiolan-3-ol is sourced from PubChem (CID 79949699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).