4-ethyl-2-methylsulfonylcyclohexan-1-ol

C9H18O3S — CID 62784582

IUPAC4-ethyl-2-methylsulfonylcyclohexan-1-ol
SMILESCCC1CCC(O)C(S(C)(=O)=O)C1
InChIInChI=1S/C9H18O3S/c1-3-7-4-5-8(10)9(6-7)13(2,11)12/h7-10H,3-6H2,1-2H3
InChIKeyNWVPGSACBFKHFW-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.97
Rot. Bonds2

About 4-ethyl-2-methylsulfonylcyclohexan-1-ol

4-ethyl-2-methylsulfonylcyclohexan-1-ol (PubChem CID 62784582) has the molecular formula C9H18O3S and a molecular weight of 206.31 g/mol. Its IUPAC name is 4-ethyl-2-methylsulfonylcyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-2-methylsulfonylcyclohexan-1-ol
PubChem CID62784582
Molecular FormulaC9H18O3S
Molecular Weight206.31 g/mol
Exact Mass206.10
IUPAC Name4-ethyl-2-methylsulfonylcyclohexan-1-ol
SMILESCCC1CCC(O)C(S(C)(=O)=O)C1
InChIInChI=1S/C9H18O3S/c1-3-7-4-5-8(10)9(6-7)13(2,11)12/h7-10H,3-6H2,1-2H3
InChIKeyNWVPGSACBFKHFW-UHFFFAOYSA-N
XLogP0.97
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethylcyclopentane-1-sulfonic acid
CID 146965844
1,3-diethylcyclopentane
CID 530396
[(1R,3R)-3-ethylcyclopentyl]methanol
CID 14940085
[4-ethyl-2-(2-methylsulfonylethylsulfonyl)cyclohexyl]methanamine
CID 64698812
4-ethyl-2-(2-ethylbutyl)cyclohexan-1-ol
CID 82929938
1-ethyl-4-methylsulfonylcycloheptane
CID 58832068
methyl 2-(2-amino-5-ethylcyclohexyl)sulfonylacetate
CID 64674378
2-dodecyl-4-ethylcyclohexan-1-ol
CID 63461251
2-[[butan-2-yl(ethyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 55094767
1-(3-ethylcyclopentyl)butan-1-one
CID 65407371
3-(2-methylsulfonylethyl)cyclopentan-1-ol
CID 64513199
trans-(1R,2R)-2-[(3-ethylcyclobutyl)amino]cyclobutan-1-ol
CID 130900725

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methylsulfonylcyclohexan-1-ol?
The IUPAC name of 4-ethyl-2-methylsulfonylcyclohexan-1-ol (CID 62784582) is 4-ethyl-2-methylsulfonylcyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-2-methylsulfonylcyclohexan-1-ol?
The canonical SMILES for 4-ethyl-2-methylsulfonylcyclohexan-1-ol is CCC1CCC(O)C(S(C)(=O)=O)C1.
What is the InChIKey of 4-ethyl-2-methylsulfonylcyclohexan-1-ol?
The InChIKey is NWVPGSACBFKHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3S/c1-3-7-4-5-8(10)9(6-7)13(2,11)12/h7-10H,3-6H2,1-2H3.
What are the key properties of 4-ethyl-2-methylsulfonylcyclohexan-1-ol?
4-ethyl-2-methylsulfonylcyclohexan-1-ol has a molecular weight of 206.31 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methylsulfonylcyclohexan-1-ol is sourced from PubChem (CID 62784582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).