6-O-cyclohexyloxysulfinyl 1-O-sulfino hexane-1,6-disulfonate

C12H24O10S4 — CID 156570827

IUPAC6-O-cyclohexyloxysulfinyl 1-O-sulfino hexane-1,6-disulfonate
SMILESO=S(O)OS(=O)(=O)CCCCCCS(=O)(=O)OS(=O)OC1CCCCC1
InChIInChI=1S/C12H24O10S4/c13-23(14)21-25(16,17)10-6-1-2-7-11-26(18,19)22-24(15)20-12-8-4-3-5-9-12/h12H,1-11H2,(H,13,14)
InChIKeySBILAIBOIMMMRL-UHFFFAOYSA-N
MW456.58 g/mol
LogP1.30
Rot. Bonds13

About 6-O-cyclohexyloxysulfinyl 1-O-sulfino hexane-1,6-disulfonate

6-O-cyclohexyloxysulfinyl 1-O-sulfino hexane-1,6-disulfonate (PubChem CID 156570827) has the molecular formula C12H24O10S4 and a molecular weight of 456.58 g/mol. Its IUPAC name is 6-O-cyclohexyloxysulfinyl 1-O-sulfino hexane-1,6-disulfonate.

Molecular Properties

Compound Name6-O-cyclohexyloxysulfinyl 1-O-sulfino hexane-1,6-disulfonate
PubChem CID156570827
Molecular FormulaC12H24O10S4
Molecular Weight456.58 g/mol
Exact Mass456.03
IUPAC Name6-O-cyclohexyloxysulfinyl 1-O-sulfino hexane-1,6-disulfonate
SMILESO=S(O)OS(=O)(=O)CCCCCCS(=O)(=O)OS(=O)OC1CCCCC1
InChIInChI=1S/C12H24O10S4/c13-23(14)21-25(16,17)10-6-1-2-7-11-26(18,19)22-24(15)20-12-8-4-3-5-9-12/h12H,1-11H2,(H,13,14)
InChIKeySBILAIBOIMMMRL-UHFFFAOYSA-N
XLogP1.30
TPSA150.34 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.58
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

dicyclohexyl sulfite
CID 557841
cyclohexyl 2-[4-(2-cyclohexyloxy-2-oxoethoxy)sulfonylbutylsulfonyloxy]acetate
CID 122599957
bis(cyclohexyloxysulfonylmethyl) pentane-1,5-disulfonate
CID 122600071
cyclohexyloxysulfinyl cyclohexanesulfinate
CID 22974433
CID 87329998
CID 87329998
cyclohexyl methoxymethanesulfinate
CID 144868315
10-cyclohexyldecane-1-sulfonic acid
CID 150281509
pentane-1,5-disulfonoperoxoic acid
CID 174970696
1-cyclohexyloxysulfonylethyl 6-(1-cyclohexyloxysulfonylethoxy)hexane-1-sulfonate
CID 146230779
cyclodecyloxyboronic acid
CID 57131416
2-(2-cycloheptyloxyethylsulfonyl)ethanol
CID 71857018
cyclopentyl phenyl sulfite
CID 150136179

Frequently Asked Questions

What is the IUPAC name of 6-O-cyclohexyloxysulfinyl 1-O-sulfino hexane-1,6-disulfonate?
The IUPAC name of 6-O-cyclohexyloxysulfinyl 1-O-sulfino hexane-1,6-disulfonate (CID 156570827) is 6-O-cyclohexyloxysulfinyl 1-O-sulfino hexane-1,6-disulfonate.
What is the SMILES notation for 6-O-cyclohexyloxysulfinyl 1-O-sulfino hexane-1,6-disulfonate?
The canonical SMILES for 6-O-cyclohexyloxysulfinyl 1-O-sulfino hexane-1,6-disulfonate is O=S(O)OS(=O)(=O)CCCCCCS(=O)(=O)OS(=O)OC1CCCCC1.
What is the InChIKey of 6-O-cyclohexyloxysulfinyl 1-O-sulfino hexane-1,6-disulfonate?
The InChIKey is SBILAIBOIMMMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O10S4/c13-23(14)21-25(16,17)10-6-1-2-7-11-26(18,19)22-24(15)20-12-8-4-3-5-9-12/h12H,1-11H2,(H,13,14).
What are the key properties of 6-O-cyclohexyloxysulfinyl 1-O-sulfino hexane-1,6-disulfonate?
6-O-cyclohexyloxysulfinyl 1-O-sulfino hexane-1,6-disulfonate has a molecular weight of 456.58 g/mol, XLogP of 1.30, 13 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-O-cyclohexyloxysulfinyl 1-O-sulfino hexane-1,6-disulfonate is sourced from PubChem (CID 156570827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).