dicyclohexyl sulfite

C12H22O3S — CID 557841

IUPACdicyclohexyl sulfite
SMILESO=S(OC1CCCCC1)OC1CCCCC1
InChIInChI=1S/C12H22O3S/c13-16(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKeyHCLXYOPDAYADQM-UHFFFAOYSA-N
MW246.37 g/mol
LogP3.26
Rot. Bonds4

About dicyclohexyl sulfite

dicyclohexyl sulfite (PubChem CID 557841) has the molecular formula C12H22O3S and a molecular weight of 246.37 g/mol. Its IUPAC name is dicyclohexyl sulfite.

Molecular Properties

Compound Namedicyclohexyl sulfite
PubChem CID557841
Molecular FormulaC12H22O3S
Molecular Weight246.37 g/mol
Exact Mass246.13
IUPAC Namedicyclohexyl sulfite
SMILESO=S(OC1CCCCC1)OC1CCCCC1
InChIInChI=1S/C12H22O3S/c13-16(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKeyHCLXYOPDAYADQM-UHFFFAOYSA-N
XLogP3.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.37
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexyloxysulfinyl cyclohexanesulfinate
CID 22974433
cyclopentyl phenyl sulfite
CID 150136179
cyclohexyl methoxymethanesulfinate
CID 144868315
6-O-cyclohexyloxysulfinyl 1-O-sulfino hexane-1,6-disulfonate
CID 156570827
silyloxycyclohexane
CID 19892694
cyclononyl formate
CID 87065625
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
1,4-bis[(4-cyclohexyloxycyclohexyl)oxy]cyclohexane
CID 140552812
cyclobutyloxycyclohexane
CID 89332762
cyclooctyl cyclooctanecarboxylate
CID 57160377
formaldehyde;methoxycyclohexane
CID 142252216

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl sulfite?
The IUPAC name of dicyclohexyl sulfite (CID 557841) is dicyclohexyl sulfite.
What is the SMILES notation for dicyclohexyl sulfite?
The canonical SMILES for dicyclohexyl sulfite is O=S(OC1CCCCC1)OC1CCCCC1.
What is the InChIKey of dicyclohexyl sulfite?
The InChIKey is HCLXYOPDAYADQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3S/c13-16(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h11-12H,1-10H2.
What are the key properties of dicyclohexyl sulfite?
dicyclohexyl sulfite has a molecular weight of 246.37 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl sulfite is sourced from PubChem (CID 557841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).