6-methyl-1-methylsulfonyloctan-4-ol

C10H22O3S — CID 115780121

IUPAC6-methyl-1-methylsulfonyloctan-4-ol
SMILESCCC(C)CC(O)CCCS(C)(=O)=O
InChIInChI=1S/C10H22O3S/c1-4-9(2)8-10(11)6-5-7-14(3,12)13/h9-11H,4-8H2,1-3H3
InChIKeyYMTRTPQHMPXXLR-UHFFFAOYSA-N
MW222.35 g/mol
LogP1.61
Rot. Bonds7

About 6-methyl-1-methylsulfonyloctan-4-ol

6-methyl-1-methylsulfonyloctan-4-ol (PubChem CID 115780121) has the molecular formula C10H22O3S and a molecular weight of 222.35 g/mol. Its IUPAC name is 6-methyl-1-methylsulfonyloctan-4-ol.

Molecular Properties

Compound Name6-methyl-1-methylsulfonyloctan-4-ol
PubChem CID115780121
Molecular FormulaC10H22O3S
Molecular Weight222.35 g/mol
Exact Mass222.13
IUPAC Name6-methyl-1-methylsulfonyloctan-4-ol
SMILESCCC(C)CC(O)CCCS(C)(=O)=O
InChIInChI=1S/C10H22O3S/c1-4-9(2)8-10(11)6-5-7-14(3,12)13/h9-11H,4-8H2,1-3H3
InChIKeyYMTRTPQHMPXXLR-UHFFFAOYSA-N
XLogP1.61
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

6,8,8-trimethyl-1-methylsulfonylnonan-4-ol
CID 115780204
4-methyl-1-methylsulfonylhexan-2-ol
CID 115601617
7-methyl-1-methylsulfonyloctan-4-ol
CID 63192258
3-methyltridecan-5-ol
CID 13025106
1-(dimethylamino)-5-methylsulfonylpentan-2-ol
CID 79087206
5-methyl-1-methylsulfonylheptan-3-amine
CID 115848498
N-ethyl-5-methyl-1-methylsulfonylheptan-3-amine
CID 115848324
3-methylpentadec-14-en-5-ol
CID 10823994
2,13-dimethylpentadecan-4-ol
CID 176880167
3-methyl-6-methylsulfonylhexan-2-one
CID 63191488
N,4-dimethyl-7-methylsulfonylheptan-2-amine
CID 64721410
N-ethyl-2-methyl-5-methylsulfonylpentan-1-amine
CID 63195916

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-methylsulfonyloctan-4-ol?
The IUPAC name of 6-methyl-1-methylsulfonyloctan-4-ol (CID 115780121) is 6-methyl-1-methylsulfonyloctan-4-ol.
What is the SMILES notation for 6-methyl-1-methylsulfonyloctan-4-ol?
The canonical SMILES for 6-methyl-1-methylsulfonyloctan-4-ol is CCC(C)CC(O)CCCS(C)(=O)=O.
What is the InChIKey of 6-methyl-1-methylsulfonyloctan-4-ol?
The InChIKey is YMTRTPQHMPXXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3S/c1-4-9(2)8-10(11)6-5-7-14(3,12)13/h9-11H,4-8H2,1-3H3.
What are the key properties of 6-methyl-1-methylsulfonyloctan-4-ol?
6-methyl-1-methylsulfonyloctan-4-ol has a molecular weight of 222.35 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-methylsulfonyloctan-4-ol is sourced from PubChem (CID 115780121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).