cyclohexyloxysulfinyl cyclohexanesulfinate

C12H22O4S2 — CID 22974433

IUPACcyclohexyloxysulfinyl cyclohexanesulfinate
SMILESO=S(OC1CCCCC1)OS(=O)C1CCCCC1
InChIInChI=1S/C12H22O4S2/c13-17(12-9-5-2-6-10-12)16-18(14)15-11-7-3-1-4-8-11/h11-12H,1-10H2
InChIKeyKPUQMLOXKWLYQE-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.93
Rot. Bonds5

About cyclohexyloxysulfinyl cyclohexanesulfinate

cyclohexyloxysulfinyl cyclohexanesulfinate (PubChem CID 22974433) has the molecular formula C12H22O4S2 and a molecular weight of 294.44 g/mol. Its IUPAC name is cyclohexyloxysulfinyl cyclohexanesulfinate.

Molecular Properties

Compound Namecyclohexyloxysulfinyl cyclohexanesulfinate
PubChem CID22974433
Molecular FormulaC12H22O4S2
Molecular Weight294.44 g/mol
Exact Mass294.10
IUPAC Namecyclohexyloxysulfinyl cyclohexanesulfinate
SMILESO=S(OC1CCCCC1)OS(=O)C1CCCCC1
InChIInChI=1S/C12H22O4S2/c13-17(12-9-5-2-6-10-12)16-18(14)15-11-7-3-1-4-8-11/h11-12H,1-10H2
InChIKeyKPUQMLOXKWLYQE-UHFFFAOYSA-N
XLogP2.93
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

dicyclohexyl sulfite
CID 557841
cyclohexyl methoxymethanesulfinate
CID 144868315
6-O-cyclohexyloxysulfinyl 1-O-sulfino hexane-1,6-disulfonate
CID 156570827
cycloheptanesulfinic acid
CID 57421187
cyclodecanesulfinate
CID 66648160
silyloxycyclohexane
CID 19892694
cyclononyl formate
CID 87065625
potassium;cyclohexanesulfinic acid;hydride
CID 173436929
[ethyl(methyl)phosphoryl]oxycyclohexane
CID 66729701
di(cyclooctyloxy)-oxophosphanium
CID 164745910
cyclohexyl (10,12-dihydroxy-4,5-dimethyl-11-azapentacyclo[6.5.1.13,6.02,7.09,13]pentadeca-9,12-dien-11-yl) sulfite
CID 90832383
cyclobutyloxycyclohexane
CID 89332762

Frequently Asked Questions

What is the IUPAC name of cyclohexyloxysulfinyl cyclohexanesulfinate?
The IUPAC name of cyclohexyloxysulfinyl cyclohexanesulfinate (CID 22974433) is cyclohexyloxysulfinyl cyclohexanesulfinate.
What is the SMILES notation for cyclohexyloxysulfinyl cyclohexanesulfinate?
The canonical SMILES for cyclohexyloxysulfinyl cyclohexanesulfinate is O=S(OC1CCCCC1)OS(=O)C1CCCCC1.
What is the InChIKey of cyclohexyloxysulfinyl cyclohexanesulfinate?
The InChIKey is KPUQMLOXKWLYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4S2/c13-17(12-9-5-2-6-10-12)16-18(14)15-11-7-3-1-4-8-11/h11-12H,1-10H2.
What are the key properties of cyclohexyloxysulfinyl cyclohexanesulfinate?
cyclohexyloxysulfinyl cyclohexanesulfinate has a molecular weight of 294.44 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyloxysulfinyl cyclohexanesulfinate is sourced from PubChem (CID 22974433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).