8-methylsulfonyloctan-1-ol

C9H20O3S — CID 19894576

IUPAC8-methylsulfonyloctan-1-ol
SMILESCS(=O)(=O)CCCCCCCCO
InChIInChI=1S/C9H20O3S/c1-13(11,12)9-7-5-3-2-4-6-8-10/h10H,2-9H2,1H3
InChIKeyNEMOEGQKGDWFQB-UHFFFAOYSA-N
MW208.32 g/mol
LogP1.36
Rot. Bonds8

About 8-methylsulfonyloctan-1-ol

8-methylsulfonyloctan-1-ol (PubChem CID 19894576) has the molecular formula C9H20O3S and a molecular weight of 208.32 g/mol. Its IUPAC name is 8-methylsulfonyloctan-1-ol.

Molecular Properties

Compound Name8-methylsulfonyloctan-1-ol
PubChem CID19894576
Molecular FormulaC9H20O3S
Molecular Weight208.32 g/mol
Exact Mass208.11
IUPAC Name8-methylsulfonyloctan-1-ol
SMILESCS(=O)(=O)CCCCCCCCO
InChIInChI=1S/C9H20O3S/c1-13(11,12)9-7-5-3-2-4-6-8-10/h10H,2-9H2,1H3
InChIKeyNEMOEGQKGDWFQB-UHFFFAOYSA-N
XLogP1.36
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ST4125193
CID 303516
4-(Octylsulfinyl)butan-1-ol
CID 5302359
Sodium 1-hydroxytetradecane-1-sulphonate
CID 23662593
Sodium hydroxydodecane-1-sulfonate
CID 23662867
Sodium;1-hydroxytetradecane-2-sulfonate
CID 87076053
1-Hydroxy-1-dodecanesulfonic acid
CID 436962
Sodium 11-hydroxy-undecane-1-sulfonate
CID 101976239
4-(Octylsulfonyl)butan-1-ol
CID 5302358
3-(Octylsulfonyl)propan-1-ol
CID 5302360
Decanesulfonic acid alcohol
CID 21570938
12-Hydroxydodecyl methyl sulfoxide
CID 23126762
1-(2-Hydroxydecylsulfinyl)decan-2-ol
CID 53471255

Frequently Asked Questions

What is the IUPAC name of 8-methylsulfonyloctan-1-ol?
The IUPAC name of 8-methylsulfonyloctan-1-ol (CID 19894576) is 8-methylsulfonyloctan-1-ol.
What is the SMILES notation for 8-methylsulfonyloctan-1-ol?
The canonical SMILES for 8-methylsulfonyloctan-1-ol is CS(=O)(=O)CCCCCCCCO.
What is the InChIKey of 8-methylsulfonyloctan-1-ol?
The InChIKey is NEMOEGQKGDWFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3S/c1-13(11,12)9-7-5-3-2-4-6-8-10/h10H,2-9H2,1H3.
What are the key properties of 8-methylsulfonyloctan-1-ol?
8-methylsulfonyloctan-1-ol has a molecular weight of 208.32 g/mol, XLogP of 1.36, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylsulfonyloctan-1-ol is sourced from PubChem (CID 19894576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).