(1-ethylsulfonylcyclohexyl)methanol

C9H18O3S — CID 70673023

IUPAC(1-ethylsulfonylcyclohexyl)methanol
SMILESCCS(=O)(=O)C1(CO)CCCCC1
InChIInChI=1S/C9H18O3S/c1-2-13(11,12)9(8-10)6-4-3-5-7-9/h10H,2-8H2,1H3
InChIKeyUVGGQKIYEIFNAT-UHFFFAOYSA-N
MW206.31 g/mol
LogP1.12
Rot. Bonds3

About (1-ethylsulfonylcyclohexyl)methanol

(1-ethylsulfonylcyclohexyl)methanol (PubChem CID 70673023) has the molecular formula C9H18O3S and a molecular weight of 206.31 g/mol. Its IUPAC name is (1-ethylsulfonylcyclohexyl)methanol.

Molecular Properties

Compound Name(1-ethylsulfonylcyclohexyl)methanol
PubChem CID70673023
Molecular FormulaC9H18O3S
Molecular Weight206.31 g/mol
Exact Mass206.10
IUPAC Name(1-ethylsulfonylcyclohexyl)methanol
SMILESCCS(=O)(=O)C1(CO)CCCCC1
InChIInChI=1S/C9H18O3S/c1-2-13(11,12)9(8-10)6-4-3-5-7-9/h10H,2-8H2,1H3
InChIKeyUVGGQKIYEIFNAT-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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Frequently Asked Questions

What is the IUPAC name of (1-ethylsulfonylcyclohexyl)methanol?
The IUPAC name of (1-ethylsulfonylcyclohexyl)methanol (CID 70673023) is (1-ethylsulfonylcyclohexyl)methanol.
What is the SMILES notation for (1-ethylsulfonylcyclohexyl)methanol?
The canonical SMILES for (1-ethylsulfonylcyclohexyl)methanol is CCS(=O)(=O)C1(CO)CCCCC1.
What is the InChIKey of (1-ethylsulfonylcyclohexyl)methanol?
The InChIKey is UVGGQKIYEIFNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3S/c1-2-13(11,12)9(8-10)6-4-3-5-7-9/h10H,2-8H2,1H3.
What are the key properties of (1-ethylsulfonylcyclohexyl)methanol?
(1-ethylsulfonylcyclohexyl)methanol 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-ethylsulfonylcyclohexyl)methanol is sourced from PubChem (CID 70673023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).