4-ethyl-2-methyl-2-methylsulfonylhexan-3-ol

C10H22O3S — CID 115821815

IUPAC4-ethyl-2-methyl-2-methylsulfonylhexan-3-ol
SMILESCCC(CC)C(O)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C10H22O3S/c1-6-8(7-2)9(11)10(3,4)14(5,12)13/h8-9,11H,6-7H2,1-5H3
InChIKeyHZBRVQDGUXBESK-UHFFFAOYSA-N
MW222.35 g/mol
LogP1.61
Rot. Bonds5

About 4-ethyl-2-methyl-2-methylsulfonylhexan-3-ol

4-ethyl-2-methyl-2-methylsulfonylhexan-3-ol (PubChem CID 115821815) has the molecular formula C10H22O3S and a molecular weight of 222.35 g/mol. Its IUPAC name is 4-ethyl-2-methyl-2-methylsulfonylhexan-3-ol.

Molecular Properties

Compound Name4-ethyl-2-methyl-2-methylsulfonylhexan-3-ol
PubChem CID115821815
Molecular FormulaC10H22O3S
Molecular Weight222.35 g/mol
Exact Mass222.13
IUPAC Name4-ethyl-2-methyl-2-methylsulfonylhexan-3-ol
SMILESCCC(CC)C(O)C(C)(C)S(C)(=O)=O
InChIInChI=1S/C10H22O3S/c1-6-8(7-2)9(11)10(3,4)14(5,12)13/h8-9,11H,6-7H2,1-5H3
InChIKeyHZBRVQDGUXBESK-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

Analyze 4-ethyl-2-methyl-2-methylsulfonylhexan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(aminomethyl)-2-methyl-2-methylsulfonylhexan-3-ol
CID 65187700
2-methyl-2-methylsulfonylheptan-3-ol
CID 115783263
1-ethoxy-3-methyl-3-methylsulfonylbutan-2-ol
CID 115818689
2-methyl-2-methylsulfonyldodecan-3-ol
CID 115782848
2,4-dimethyl-2-methylsulfonylhexan-3-amine
CID 105017427
N-ethyl-2,4-dimethyl-2-methylsulfonylhexan-3-amine
CID 105017343
N-ethyl-2,4-dimethyl-4-methylsulfonylpent-1-en-3-amine
CID 105005182
trifluoro(methylsulfonyl)methane
CID 11215049
2,4-dimethyl-2-methylsulfonylhexan-3-one
CID 115787951
N-ethyl-2,4-dimethyl-2-methylsulfonylpentan-3-amine
CID 114978377
4-methyl-1-methylsulfonylhexan-2-ol
CID 115601617
2,2-dimethyl-N-(1-methylsulfonylbutan-2-yl)propanamide
CID 166778273

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-methyl-2-methylsulfonylhexan-3-ol?
The IUPAC name of 4-ethyl-2-methyl-2-methylsulfonylhexan-3-ol (CID 115821815) is 4-ethyl-2-methyl-2-methylsulfonylhexan-3-ol.
What is the SMILES notation for 4-ethyl-2-methyl-2-methylsulfonylhexan-3-ol?
The canonical SMILES for 4-ethyl-2-methyl-2-methylsulfonylhexan-3-ol is CCC(CC)C(O)C(C)(C)S(C)(=O)=O.
What is the InChIKey of 4-ethyl-2-methyl-2-methylsulfonylhexan-3-ol?
The InChIKey is HZBRVQDGUXBESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3S/c1-6-8(7-2)9(11)10(3,4)14(5,12)13/h8-9,11H,6-7H2,1-5H3.
What are the key properties of 4-ethyl-2-methyl-2-methylsulfonylhexan-3-ol?
4-ethyl-2-methyl-2-methylsulfonylhexan-3-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 4-ethyl-2-methyl-2-methylsulfonylhexan-3-ol is sourced from PubChem (CID 115821815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).