2-(2-methyl-1,3-dithian-2-yl)cyclohexan-1-ol

C11H20OS2 — CID 18363966

IUPAC2-(2-methyl-1,3-dithian-2-yl)cyclohexan-1-ol
SMILESCC1(C2CCCCC2O)SCCCS1
InChIInChI=1S/C11H20OS2/c1-11(13-7-4-8-14-11)9-5-2-3-6-10(9)12/h9-10,12H,2-8H2,1H3
InChIKeyOAROJDDHUHEBGV-UHFFFAOYSA-N
MW232.41 g/mol
LogP3.12
Rot. Bonds1

About 2-(2-methyl-1,3-dithian-2-yl)cyclohexan-1-ol

2-(2-methyl-1,3-dithian-2-yl)cyclohexan-1-ol (PubChem CID 18363966) has the molecular formula C11H20OS2 and a molecular weight of 232.41 g/mol. Its IUPAC name is 2-(2-methyl-1,3-dithian-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(2-methyl-1,3-dithian-2-yl)cyclohexan-1-ol
PubChem CID18363966
Molecular FormulaC11H20OS2
Molecular Weight232.41 g/mol
Exact Mass232.10
IUPAC Name2-(2-methyl-1,3-dithian-2-yl)cyclohexan-1-ol
SMILESCC1(C2CCCCC2O)SCCCS1
InChIInChI=1S/C11H20OS2/c1-11(13-7-4-8-14-11)9-5-2-3-6-10(9)12/h9-10,12H,2-8H2,1H3
InChIKeyOAROJDDHUHEBGV-UHFFFAOYSA-N
XLogP3.12
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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 2-(2-methyl-1,3-dithian-2-yl)cyclohexan-1-ol?
The IUPAC name of 2-(2-methyl-1,3-dithian-2-yl)cyclohexan-1-ol (CID 18363966) is 2-(2-methyl-1,3-dithian-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 2-(2-methyl-1,3-dithian-2-yl)cyclohexan-1-ol?
The canonical SMILES for 2-(2-methyl-1,3-dithian-2-yl)cyclohexan-1-ol is CC1(C2CCCCC2O)SCCCS1.
What is the InChIKey of 2-(2-methyl-1,3-dithian-2-yl)cyclohexan-1-ol?
The InChIKey is OAROJDDHUHEBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OS2/c1-11(13-7-4-8-14-11)9-5-2-3-6-10(9)12/h9-10,12H,2-8H2,1H3.
What are the key properties of 2-(2-methyl-1,3-dithian-2-yl)cyclohexan-1-ol?
2-(2-methyl-1,3-dithian-2-yl)cyclohexan-1-ol has a molecular weight of 232.41 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-dithian-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 18363966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).