cyclohexylmethylsulfonyloxymethanesulfonate

C8H15O6S2- — CID 156663582

IUPACcyclohexylmethylsulfonyloxymethanesulfonate
SMILESO=S(=O)([O-])COS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C8H16O6S2/c9-15(10,11)7-14-16(12,13)6-8-4-2-1-3-5-8/h8H,1-7H2,(H,9,10,11)/p-1
InChIKeyLUHFCMCOUDCQFP-UHFFFAOYSA-M
MW271.34 g/mol
LogP0.42
Rot. Bonds5

About cyclohexylmethylsulfonyloxymethanesulfonate

cyclohexylmethylsulfonyloxymethanesulfonate (PubChem CID 156663582) has the molecular formula C8H15O6S2- and a molecular weight of 271.34 g/mol. Its IUPAC name is cyclohexylmethylsulfonyloxymethanesulfonate.

Molecular Properties

Compound Namecyclohexylmethylsulfonyloxymethanesulfonate
PubChem CID156663582
Molecular FormulaC8H15O6S2-
Molecular Weight271.34 g/mol
Exact Mass271.03
IUPAC Namecyclohexylmethylsulfonyloxymethanesulfonate
SMILESO=S(=O)([O-])COS(=O)(=O)CC1CCCCC1
InChIInChI=1S/C8H16O6S2/c9-15(10,11)7-14-16(12,13)6-8-4-2-1-3-5-8/h8H,1-7H2,(H,9,10,11)/p-1
InChIKeyLUHFCMCOUDCQFP-UHFFFAOYSA-M
XLogP0.42
TPSA100.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexylmethylsulfonyloxymethanesulfonate?
The IUPAC name of cyclohexylmethylsulfonyloxymethanesulfonate (CID 156663582) is cyclohexylmethylsulfonyloxymethanesulfonate.
What is the SMILES notation for cyclohexylmethylsulfonyloxymethanesulfonate?
The canonical SMILES for cyclohexylmethylsulfonyloxymethanesulfonate is O=S(=O)([O-])COS(=O)(=O)CC1CCCCC1.
What is the InChIKey of cyclohexylmethylsulfonyloxymethanesulfonate?
The InChIKey is LUHFCMCOUDCQFP-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H16O6S2/c9-15(10,11)7-14-16(12,13)6-8-4-2-1-3-5-8/h8H,1-7H2,(H,9,10,11)/p-1.
What are the key properties of cyclohexylmethylsulfonyloxymethanesulfonate?
cyclohexylmethylsulfonyloxymethanesulfonate has a molecular weight of 271.34 g/mol, XLogP of 0.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethylsulfonyloxymethanesulfonate is sourced from PubChem (CID 156663582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).