6-methyl-2-methylsulfonylheptan-3-ol

C9H20O3S — CID 115783738

IUPAC6-methyl-2-methylsulfonylheptan-3-ol
SMILESCC(C)CCC(O)C(C)S(C)(=O)=O
InChIInChI=1S/C9H20O3S/c1-7(2)5-6-9(10)8(3)13(4,11)12/h7-10H,5-6H2,1-4H3
InChIKeyKEZCQHWMFPTPKJ-UHFFFAOYSA-N
MW208.32 g/mol
LogP1.22
Rot. Bonds5

About 6-methyl-2-methylsulfonylheptan-3-ol

6-methyl-2-methylsulfonylheptan-3-ol (PubChem CID 115783738) has the molecular formula C9H20O3S and a molecular weight of 208.32 g/mol. Its IUPAC name is 6-methyl-2-methylsulfonylheptan-3-ol.

Molecular Properties

Compound Name6-methyl-2-methylsulfonylheptan-3-ol
PubChem CID115783738
Molecular FormulaC9H20O3S
Molecular Weight208.32 g/mol
Exact Mass208.11
IUPAC Name6-methyl-2-methylsulfonylheptan-3-ol
SMILESCC(C)CCC(O)C(C)S(C)(=O)=O
InChIInChI=1S/C9H20O3S/c1-7(2)5-6-9(10)8(3)13(4,11)12/h7-10H,5-6H2,1-4H3
InChIKeyKEZCQHWMFPTPKJ-UHFFFAOYSA-N
XLogP1.22
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.32
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylsulfonylpentadecan-3-ol
CID 115789539
2-methylsulfonylhept-6-yn-3-ol
CID 115799455
3-methylsulfonylbutan-2-ol
CID 13461367
6-methylheptane-2,3-diol
CID 57080591
7-methyl-1-methylsulfonyloctan-4-ol
CID 63192258
(2S,3S)-2-amino-3-hydroxy-6-methylheptanoic acid
CID 154251758
3-methyl-1-methylsulfonylbutane
CID 20712453
ethane;5-methylhexan-2-ol
CID 144624886
methanesulfonic acid;1-sulfanylethanol
CID 174795676
bis(3-methylbutan-1-ol);sulfuric acid
CID 71441144
1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-3-methylsulfonylbutan-2-ol
CID 115814294
[(2S)-5-methylhexan-2-yl] hydrogen sulfate
CID 89320849

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-methylsulfonylheptan-3-ol?
The IUPAC name of 6-methyl-2-methylsulfonylheptan-3-ol (CID 115783738) is 6-methyl-2-methylsulfonylheptan-3-ol.
What is the SMILES notation for 6-methyl-2-methylsulfonylheptan-3-ol?
The canonical SMILES for 6-methyl-2-methylsulfonylheptan-3-ol is CC(C)CCC(O)C(C)S(C)(=O)=O.
What is the InChIKey of 6-methyl-2-methylsulfonylheptan-3-ol?
The InChIKey is KEZCQHWMFPTPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3S/c1-7(2)5-6-9(10)8(3)13(4,11)12/h7-10H,5-6H2,1-4H3.
What are the key properties of 6-methyl-2-methylsulfonylheptan-3-ol?
6-methyl-2-methylsulfonylheptan-3-ol has a molecular weight of 208.32 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-methylsulfonylheptan-3-ol is sourced from PubChem (CID 115783738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).