2-(2-ethylsulfonylethyl)-4-propan-2-ylcyclohexan-1-ol

C13H26O3S — CID 55106625

IUPAC2-(2-ethylsulfonylethyl)-4-propan-2-ylcyclohexan-1-ol
SMILESCCS(=O)(=O)CCC1CC(C(C)C)CCC1O
InChIInChI=1S/C13H26O3S/c1-4-17(15,16)8-7-12-9-11(10(2)3)5-6-13(12)14/h10-14H,4-9H2,1-3H3
InChIKeyGMHWJGOUJIWZNE-UHFFFAOYSA-N
MW262.41 g/mol
LogP2.24
Rot. Bonds5

About 2-(2-ethylsulfonylethyl)-4-propan-2-ylcyclohexan-1-ol

2-(2-ethylsulfonylethyl)-4-propan-2-ylcyclohexan-1-ol (PubChem CID 55106625) has the molecular formula C13H26O3S and a molecular weight of 262.41 g/mol. Its IUPAC name is 2-(2-ethylsulfonylethyl)-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(2-ethylsulfonylethyl)-4-propan-2-ylcyclohexan-1-ol
PubChem CID55106625
Molecular FormulaC13H26O3S
Molecular Weight262.41 g/mol
Exact Mass262.16
IUPAC Name2-(2-ethylsulfonylethyl)-4-propan-2-ylcyclohexan-1-ol
SMILESCCS(=O)(=O)CCC1CC(C(C)C)CCC1O
InChIInChI=1S/C13H26O3S/c1-4-17(15,16)8-7-12-9-11(10(2)3)5-6-13(12)14/h10-14H,4-9H2,1-3H3
InChIKeyGMHWJGOUJIWZNE-UHFFFAOYSA-N
XLogP2.24
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfonylethyl)-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 2-(2-ethylsulfonylethyl)-4-propan-2-ylcyclohexan-1-ol (CID 55106625) is 2-(2-ethylsulfonylethyl)-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-(2-ethylsulfonylethyl)-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-(2-ethylsulfonylethyl)-4-propan-2-ylcyclohexan-1-ol is CCS(=O)(=O)CCC1CC(C(C)C)CCC1O.
What is the InChIKey of 2-(2-ethylsulfonylethyl)-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is GMHWJGOUJIWZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3S/c1-4-17(15,16)8-7-12-9-11(10(2)3)5-6-13(12)14/h10-14H,4-9H2,1-3H3.
What are the key properties of 2-(2-ethylsulfonylethyl)-4-propan-2-ylcyclohexan-1-ol?
2-(2-ethylsulfonylethyl)-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 262.41 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfonylethyl)-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 55106625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).