cyclohexyl methoxymethanesulfinate

C8H16O3S — CID 144868315

IUPACcyclohexyl methoxymethanesulfinate
SMILESCOCS(=O)OC1CCCCC1
InChIInChI=1S/C8H16O3S/c1-10-7-12(9)11-8-5-3-2-4-6-8/h8H,2-7H2,1H3
InChIKeyCESSFCAGLYYFTR-UHFFFAOYSA-N
MW192.28 g/mol
LogP1.60
Rot. Bonds4

About cyclohexyl methoxymethanesulfinate

cyclohexyl methoxymethanesulfinate (PubChem CID 144868315) has the molecular formula C8H16O3S and a molecular weight of 192.28 g/mol. Its IUPAC name is cyclohexyl methoxymethanesulfinate.

Molecular Properties

Compound Namecyclohexyl methoxymethanesulfinate
PubChem CID144868315
Molecular FormulaC8H16O3S
Molecular Weight192.28 g/mol
Exact Mass192.08
IUPAC Namecyclohexyl methoxymethanesulfinate
SMILESCOCS(=O)OC1CCCCC1
InChIInChI=1S/C8H16O3S/c1-10-7-12(9)11-8-5-3-2-4-6-8/h8H,2-7H2,1H3
InChIKeyCESSFCAGLYYFTR-UHFFFAOYSA-N
XLogP1.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cyclohexyl methoxymethanesulfinate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclohexyl methoxymethanesulfinate?
The IUPAC name of cyclohexyl methoxymethanesulfinate (CID 144868315) is cyclohexyl methoxymethanesulfinate.
What is the SMILES notation for cyclohexyl methoxymethanesulfinate?
The canonical SMILES for cyclohexyl methoxymethanesulfinate is COCS(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl methoxymethanesulfinate?
The InChIKey is CESSFCAGLYYFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3S/c1-10-7-12(9)11-8-5-3-2-4-6-8/h8H,2-7H2,1H3.
What are the key properties of cyclohexyl methoxymethanesulfinate?
cyclohexyl methoxymethanesulfinate has a molecular weight of 192.28 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl methoxymethanesulfinate is sourced from PubChem (CID 144868315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).