cyclodecanesulfinate

C10H19O2S- — CID 66648160

IUPACcyclodecanesulfinate
SMILESO=S([O-])C1CCCCCCCCC1
InChIInChI=1S/C10H20O2S/c11-13(12)10-8-6-4-2-1-3-5-7-9-10/h10H,1-9H2,(H,11,12)/p-1
InChIKeyXYCHPLPUUUGQGO-UHFFFAOYSA-M
MW203.33 g/mol
LogP2.76
Rot. Bonds1

About cyclodecanesulfinate

cyclodecanesulfinate (PubChem CID 66648160) has the molecular formula C10H19O2S- and a molecular weight of 203.33 g/mol. Its IUPAC name is cyclodecanesulfinate.

Molecular Properties

Compound Namecyclodecanesulfinate
PubChem CID66648160
Molecular FormulaC10H19O2S-
Molecular Weight203.33 g/mol
Exact Mass203.11
IUPAC Namecyclodecanesulfinate
SMILESO=S([O-])C1CCCCCCCCC1
InChIInChI=1S/C10H20O2S/c11-13(12)10-8-6-4-2-1-3-5-7-9-10/h10H,1-9H2,(H,11,12)/p-1
InChIKeyXYCHPLPUUUGQGO-UHFFFAOYSA-M
XLogP2.76
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclodecanesulfinate?
The IUPAC name of cyclodecanesulfinate (CID 66648160) is cyclodecanesulfinate.
What is the SMILES notation for cyclodecanesulfinate?
The canonical SMILES for cyclodecanesulfinate is O=S([O-])C1CCCCCCCCC1.
What is the InChIKey of cyclodecanesulfinate?
The InChIKey is XYCHPLPUUUGQGO-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H20O2S/c11-13(12)10-8-6-4-2-1-3-5-7-9-10/h10H,1-9H2,(H,11,12)/p-1.
What are the key properties of cyclodecanesulfinate?
cyclodecanesulfinate has a molecular weight of 203.33 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclodecanesulfinate is sourced from PubChem (CID 66648160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).