2-[2-(3,5-dimethylcyclohexyl)ethylsulfonyl]ethanol

C12H24O3S — CID 71855125

IUPAC2-[2-(3,5-dimethylcyclohexyl)ethylsulfonyl]ethanol
SMILESCC1CC(C)CC(CCS(=O)(=O)CCO)C1
InChIInChI=1S/C12H24O3S/c1-10-7-11(2)9-12(8-10)3-5-16(14,15)6-4-13/h10-13H,3-9H2,1-2H3
InChIKeyDWDDYXLHIPJTQV-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.86
Rot. Bonds5

About 2-[2-(3,5-dimethylcyclohexyl)ethylsulfonyl]ethanol

2-[2-(3,5-dimethylcyclohexyl)ethylsulfonyl]ethanol (PubChem CID 71855125) has the molecular formula C12H24O3S and a molecular weight of 248.39 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylcyclohexyl)ethylsulfonyl]ethanol.

Molecular Properties

Compound Name2-[2-(3,5-dimethylcyclohexyl)ethylsulfonyl]ethanol
PubChem CID71855125
Molecular FormulaC12H24O3S
Molecular Weight248.39 g/mol
Exact Mass248.14
IUPAC Name2-[2-(3,5-dimethylcyclohexyl)ethylsulfonyl]ethanol
SMILESCC1CC(C)CC(CCS(=O)(=O)CCO)C1
InChIInChI=1S/C12H24O3S/c1-10-7-11(2)9-12(8-10)3-5-16(14,15)6-4-13/h10-13H,3-9H2,1-2H3
InChIKeyDWDDYXLHIPJTQV-UHFFFAOYSA-N
XLogP1.86
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylcyclohexyl)ethylsulfonyl]ethanol?
The IUPAC name of 2-[2-(3,5-dimethylcyclohexyl)ethylsulfonyl]ethanol (CID 71855125) is 2-[2-(3,5-dimethylcyclohexyl)ethylsulfonyl]ethanol.
What is the SMILES notation for 2-[2-(3,5-dimethylcyclohexyl)ethylsulfonyl]ethanol?
The canonical SMILES for 2-[2-(3,5-dimethylcyclohexyl)ethylsulfonyl]ethanol is CC1CC(C)CC(CCS(=O)(=O)CCO)C1.
What is the InChIKey of 2-[2-(3,5-dimethylcyclohexyl)ethylsulfonyl]ethanol?
The InChIKey is DWDDYXLHIPJTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3S/c1-10-7-11(2)9-12(8-10)3-5-16(14,15)6-4-13/h10-13H,3-9H2,1-2H3.
What are the key properties of 2-[2-(3,5-dimethylcyclohexyl)ethylsulfonyl]ethanol?
2-[2-(3,5-dimethylcyclohexyl)ethylsulfonyl]ethanol has a molecular weight of 248.39 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethylcyclohexyl)ethylsulfonyl]ethanol is sourced from PubChem (CID 71855125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).