1-(ethylsulfonylmethyl)cyclohexan-1-ol

C9H18O3S — CID 97251290

IUPAC1-(ethylsulfonylmethyl)cyclohexan-1-ol
SMILESCCS(=O)(=O)CC1(O)CCCCC1
InChIInChI=1S/C9H18O3S/c1-2-13(11,12)8-9(10)6-4-3-5-7-9/h10H,2-8H2,1H3
InChIKeyHYCFDOWFFGWATE-UHFFFAOYSA-N
MW206.31 g/mol
LogP1.12
Rot. Bonds3

About 1-(ethylsulfonylmethyl)cyclohexan-1-ol

1-(ethylsulfonylmethyl)cyclohexan-1-ol (PubChem CID 97251290) has the molecular formula C9H18O3S and a molecular weight of 206.31 g/mol. Its IUPAC name is 1-(ethylsulfonylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(ethylsulfonylmethyl)cyclohexan-1-ol
PubChem CID97251290
Molecular FormulaC9H18O3S
Molecular Weight206.31 g/mol
Exact Mass206.10
IUPAC Name1-(ethylsulfonylmethyl)cyclohexan-1-ol
SMILESCCS(=O)(=O)CC1(O)CCCCC1
InChIInChI=1S/C9H18O3S/c1-2-13(11,12)8-9(10)6-4-3-5-7-9/h10H,2-8H2,1H3
InChIKeyHYCFDOWFFGWATE-UHFFFAOYSA-N
XLogP1.12
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[Ethylsulfanyl(ethylsulfinyl)methyl]cyclohexan-1-ol
CID 112475352
4-Ethyltetrahydro-2,2-dimethylthiopyran-4-ol 1,1-dioxide
CID 129805814
4-[(2-Hydroxy-2-propylpentyl)sulfonylmethyl]heptan-4-ol
CID 86090891
1-[(1-Hydroxycyclohexyl)methylsulfinylmethyl]cyclohexan-1-ol
CID 86090919
[1-(2-Methylpropylsulfonyl)cyclohexyl]methanol
CID 58814953
4-Cyclohexyl-2-methylsulfonylbutan-2-ol
CID 69505629
1-(Tert-butylsulfonylmethyl)cyclohexan-1-ol
CID 70321772
(1-Ethylsulfonylcyclohexyl)methanol
CID 70673023
3-Ethylsulfonyl-2,4-dimethylhexan-2-ol
CID 88894860
4-(2-Methylpropyl)-1,1-dioxothian-4-ol
CID 118216549
1-(Methylsulfonylmethyl)cyclohexan-1-ol
CID 122518729
4-(2,2-Dimethylpropyl)-1,1-dioxothian-4-ol
CID 126656779

Frequently Asked Questions

What is the IUPAC name of 1-(ethylsulfonylmethyl)cyclohexan-1-ol?
The IUPAC name of 1-(ethylsulfonylmethyl)cyclohexan-1-ol (CID 97251290) is 1-(ethylsulfonylmethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(ethylsulfonylmethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(ethylsulfonylmethyl)cyclohexan-1-ol is CCS(=O)(=O)CC1(O)CCCCC1.
What is the InChIKey of 1-(ethylsulfonylmethyl)cyclohexan-1-ol?
The InChIKey is HYCFDOWFFGWATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3S/c1-2-13(11,12)8-9(10)6-4-3-5-7-9/h10H,2-8H2,1H3.
What are the key properties of 1-(ethylsulfonylmethyl)cyclohexan-1-ol?
1-(ethylsulfonylmethyl)cyclohexan-1-ol has a molecular weight of 206.31 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylsulfonylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 97251290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).