cyclohexyl(1,3-dithiolan-2-yl)methanol

C10H18OS2 — CID 102480166

IUPACcyclohexyl(1,3-dithiolan-2-yl)methanol
SMILESOC(C1CCCCC1)C1SCCS1
InChIInChI=1S/C10H18OS2/c11-9(10-12-6-7-13-10)8-4-2-1-3-5-8/h8-11H,1-7H2
InChIKeyCETUXZLKDJFCKJ-UHFFFAOYSA-N
MW218.39 g/mol
LogP2.73
Rot. Bonds2

About cyclohexyl(1,3-dithiolan-2-yl)methanol

cyclohexyl(1,3-dithiolan-2-yl)methanol (PubChem CID 102480166) has the molecular formula C10H18OS2 and a molecular weight of 218.39 g/mol. Its IUPAC name is cyclohexyl(1,3-dithiolan-2-yl)methanol.

Molecular Properties

Compound Namecyclohexyl(1,3-dithiolan-2-yl)methanol
PubChem CID102480166
Molecular FormulaC10H18OS2
Molecular Weight218.39 g/mol
Exact Mass218.08
IUPAC Namecyclohexyl(1,3-dithiolan-2-yl)methanol
SMILESOC(C1CCCCC1)C1SCCS1
InChIInChI=1S/C10H18OS2/c11-9(10-12-6-7-13-10)8-4-2-1-3-5-8/h8-11H,1-7H2
InChIKeyCETUXZLKDJFCKJ-UHFFFAOYSA-N
XLogP2.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Cyclohexyl(1,3-dithian-2-yl)methanol
CID 12556860
cis-(1R,2S)-2-(1,3-dithian-2-ylmethyl)cyclohexan-1-ol
CID 135038715
(R)-cyclohexyl-[(1R,3R)-1,3-dioxo-1,3-dithian-2-yl]methanol
CID 135062102
1-Cyclohexyl-2-methylsulfanyl-2-methylsulfinylethanol
CID 135080524
1-Cyclohexyl-2,2,2-tris(methylsulfanyl)ethanol
CID 10978417
2-(2-Methyl-1,3-dithian-2-yl)cyclohexan-1-ol
CID 18363966
[2-(1,3-Dithiolan-2-ylmethyl)cyclohexyl]methanol
CID 19906528
1-Cyclohexyl-3-ethylsulfanylpropan-2-ol
CID 21710567
1-Butylsulfanyl-3-cyclohexylpropan-2-ol
CID 22014258
2-(1,3-Dithian-2-yl)cyclohexan-1-ol
CID 22891764
Rac-cis-2-(1,3-dithiolan-2-yl methyl)cyclohexanemethanol
CID 54432968
4-Cyclohexyl-1-cyclohexylsulfanylbutan-2-ol
CID 57068108

Frequently Asked Questions

What is the IUPAC name of cyclohexyl(1,3-dithiolan-2-yl)methanol?
The IUPAC name of cyclohexyl(1,3-dithiolan-2-yl)methanol (CID 102480166) is cyclohexyl(1,3-dithiolan-2-yl)methanol.
What is the SMILES notation for cyclohexyl(1,3-dithiolan-2-yl)methanol?
The canonical SMILES for cyclohexyl(1,3-dithiolan-2-yl)methanol is OC(C1CCCCC1)C1SCCS1.
What is the InChIKey of cyclohexyl(1,3-dithiolan-2-yl)methanol?
The InChIKey is CETUXZLKDJFCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS2/c11-9(10-12-6-7-13-10)8-4-2-1-3-5-8/h8-11H,1-7H2.
What are the key properties of cyclohexyl(1,3-dithiolan-2-yl)methanol?
cyclohexyl(1,3-dithiolan-2-yl)methanol has a molecular weight of 218.39 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(1,3-dithiolan-2-yl)methanol is sourced from PubChem (CID 102480166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).