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

C11H20OS2 — CID 12556860

IUPACcyclohexyl(1,3-dithian-2-yl)methanol
SMILESOC(C1CCCCC1)C1SCCCS1
InChIInChI=1S/C11H20OS2/c12-10(9-5-2-1-3-6-9)11-13-7-4-8-14-11/h9-12H,1-8H2
InChIKeyUXXSGJJANIRJEE-UHFFFAOYSA-N
MW232.41 g/mol
LogP3.12
Rot. Bonds2

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

cyclohexyl(1,3-dithian-2-yl)methanol (PubChem CID 12556860) has the molecular formula C11H20OS2 and a molecular weight of 232.41 g/mol. Its IUPAC name is cyclohexyl(1,3-dithian-2-yl)methanol.

Molecular Properties

Compound Namecyclohexyl(1,3-dithian-2-yl)methanol
PubChem CID12556860
Molecular FormulaC11H20OS2
Molecular Weight232.41 g/mol
Exact Mass232.10
IUPAC Namecyclohexyl(1,3-dithian-2-yl)methanol
SMILESOC(C1CCCCC1)C1SCCCS1
InChIInChI=1S/C11H20OS2/c12-10(9-5-2-1-3-6-9)11-13-7-4-8-14-11/h9-12H,1-8H2
InChIKeyUXXSGJJANIRJEE-UHFFFAOYSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl(1,3-dithian-2-yl)methanol?
The IUPAC name of cyclohexyl(1,3-dithian-2-yl)methanol (CID 12556860) is cyclohexyl(1,3-dithian-2-yl)methanol.
What is the SMILES notation for cyclohexyl(1,3-dithian-2-yl)methanol?
The canonical SMILES for cyclohexyl(1,3-dithian-2-yl)methanol is OC(C1CCCCC1)C1SCCCS1.
What is the InChIKey of cyclohexyl(1,3-dithian-2-yl)methanol?
The InChIKey is UXXSGJJANIRJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OS2/c12-10(9-5-2-1-3-6-9)11-13-7-4-8-14-11/h9-12H,1-8H2.
What are the key properties of cyclohexyl(1,3-dithian-2-yl)methanol?
cyclohexyl(1,3-dithian-2-yl)methanol has a molecular weight of 232.41 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(1,3-dithian-2-yl)methanol is sourced from PubChem (CID 12556860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).