3-ethylsulfonyl-2,4-dimethylhexan-2-ol

C10H22O3S — CID 88894860

IUPAC3-ethylsulfonyl-2,4-dimethylhexan-2-ol
SMILESCCC(C)C(C(C)(C)O)S(=O)(=O)CC
InChIInChI=1S/C10H22O3S/c1-6-8(3)9(10(4,5)11)14(12,13)7-2/h8-9,11H,6-7H2,1-5H3
InChIKeyWRIXKOVKCIYACK-UHFFFAOYSA-N
MW222.35 g/mol
LogP1.61
Rot. Bonds5

About 3-ethylsulfonyl-2,4-dimethylhexan-2-ol

3-ethylsulfonyl-2,4-dimethylhexan-2-ol (PubChem CID 88894860) has the molecular formula C10H22O3S and a molecular weight of 222.35 g/mol. Its IUPAC name is 3-ethylsulfonyl-2,4-dimethylhexan-2-ol.

Molecular Properties

Compound Name3-ethylsulfonyl-2,4-dimethylhexan-2-ol
PubChem CID88894860
Molecular FormulaC10H22O3S
Molecular Weight222.35 g/mol
Exact Mass222.13
IUPAC Name3-ethylsulfonyl-2,4-dimethylhexan-2-ol
SMILESCCC(C)C(C(C)(C)O)S(=O)(=O)CC
InChIInChI=1S/C10H22O3S/c1-6-8(3)9(10(4,5)11)14(12,13)7-2/h8-9,11H,6-7H2,1-5H3
InChIKeyWRIXKOVKCIYACK-UHFFFAOYSA-N
XLogP1.61
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,3'-(Sulfonyldimethanediyl)dipentan-3-ol
CID 283238
1-(Ethylsulfonylmethyl)cyclohexan-1-ol
CID 97251290
4-Ethyltetrahydro-2,2-dimethylthiopyran-4-ol 1,1-dioxide
CID 129805814
1-Ethylsulfonyl-8,8,8-trifluoro-4-methyloctan-4-ol
CID 113533987
7,7,7-Trifluoro-3-methyl-1-methylsulfonylheptan-3-ol
CID 116535792
4-[(2-Hydroxy-2-propylpentyl)sulfonylmethyl]heptan-4-ol
CID 86090891
6-(2-Ethylbutylsulfonyl)hexan-1-ol
CID 58277250
(3S)-3-ethylsulfinyl-2,4-dimethylpentan-2-ol
CID 58468994
(3S)-3-ethylsulfonyl-2,4-dimethylpentan-2-ol
CID 58469109
(3S)-2,4-dimethyl-3-methylsulfonylpentan-2-ol
CID 58469143
(3S)-2,4-dimethyl-3-methylsulfinylpentan-2-ol
CID 58469169
1,1-Dioxo-3-propylthiolan-3-ol
CID 63162892

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfonyl-2,4-dimethylhexan-2-ol?
The IUPAC name of 3-ethylsulfonyl-2,4-dimethylhexan-2-ol (CID 88894860) is 3-ethylsulfonyl-2,4-dimethylhexan-2-ol.
What is the SMILES notation for 3-ethylsulfonyl-2,4-dimethylhexan-2-ol?
The canonical SMILES for 3-ethylsulfonyl-2,4-dimethylhexan-2-ol is CCC(C)C(C(C)(C)O)S(=O)(=O)CC.
What is the InChIKey of 3-ethylsulfonyl-2,4-dimethylhexan-2-ol?
The InChIKey is WRIXKOVKCIYACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3S/c1-6-8(3)9(10(4,5)11)14(12,13)7-2/h8-9,11H,6-7H2,1-5H3.
What are the key properties of 3-ethylsulfonyl-2,4-dimethylhexan-2-ol?
3-ethylsulfonyl-2,4-dimethylhexan-2-ol has a molecular weight of 222.35 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfonyl-2,4-dimethylhexan-2-ol is sourced from PubChem (CID 88894860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).