2-methylsulfonylcyclooctan-1-ol

C9H18O3S — CID 62785517

IUPAC2-methylsulfonylcyclooctan-1-ol
SMILESCS(=O)(=O)C1CCCCCCC1O
InChIInChI=1S/C9H18O3S/c1-13(11,12)9-7-5-3-2-4-6-8(9)10/h8-10H,2-7H2,1H3
InChIKeyNSBPWTSIFUGDFZ-UHFFFAOYSA-N
MW206.31 g/mol
LogP1.11
Rot. Bonds1

About 2-methylsulfonylcyclooctan-1-ol

2-methylsulfonylcyclooctan-1-ol (PubChem CID 62785517) has the molecular formula C9H18O3S and a molecular weight of 206.31 g/mol. Its IUPAC name is 2-methylsulfonylcyclooctan-1-ol.

Molecular Properties

Compound Name2-methylsulfonylcyclooctan-1-ol
PubChem CID62785517
Molecular FormulaC9H18O3S
Molecular Weight206.31 g/mol
Exact Mass206.10
IUPAC Name2-methylsulfonylcyclooctan-1-ol
SMILESCS(=O)(=O)C1CCCCCCC1O
InChIInChI=1S/C9H18O3S/c1-13(11,12)9-7-5-3-2-4-6-8(9)10/h8-10H,2-7H2,1H3
InChIKeyNSBPWTSIFUGDFZ-UHFFFAOYSA-N
XLogP1.11
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonylcyclooctan-1-ol?
The IUPAC name of 2-methylsulfonylcyclooctan-1-ol (CID 62785517) is 2-methylsulfonylcyclooctan-1-ol.
What is the SMILES notation for 2-methylsulfonylcyclooctan-1-ol?
The canonical SMILES for 2-methylsulfonylcyclooctan-1-ol is CS(=O)(=O)C1CCCCCCC1O.
What is the InChIKey of 2-methylsulfonylcyclooctan-1-ol?
The InChIKey is NSBPWTSIFUGDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O3S/c1-13(11,12)9-7-5-3-2-4-6-8(9)10/h8-10H,2-7H2,1H3.
What are the key properties of 2-methylsulfonylcyclooctan-1-ol?
2-methylsulfonylcyclooctan-1-ol has a molecular weight of 206.31 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonylcyclooctan-1-ol is sourced from PubChem (CID 62785517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).