[(1R,2R)-2-(1,3-dithiolan-2-ylmethyl)cyclohexyl]methanol

C11H20OS2 — CID 54432968

IUPAC[(1R,2R)-2-(1,3-dithiolan-2-ylmethyl)cyclohexyl]methanol
SMILESOC[C@@H]1CCCC[C@@H]1CC1SCCS1
InChIInChI=1S/C11H20OS2/c12-8-10-4-2-1-3-9(10)7-11-13-5-6-14-11/h9-12H,1-8H2/t9-,10+/m1/s1
InChIKeyWIUMSIXNJUQPOD-ZJUUUORDSA-N
MW232.41 g/mol
LogP2.98
Rot. Bonds3

About [(1R,2R)-2-(1,3-dithiolan-2-ylmethyl)cyclohexyl]methanol

[(1R,2R)-2-(1,3-dithiolan-2-ylmethyl)cyclohexyl]methanol (PubChem CID 54432968) has the molecular formula C11H20OS2 and a molecular weight of 232.41 g/mol. Its IUPAC name is [(1R,2R)-2-(1,3-dithiolan-2-ylmethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[(1R,2R)-2-(1,3-dithiolan-2-ylmethyl)cyclohexyl]methanol
PubChem CID54432968
Molecular FormulaC11H20OS2
Molecular Weight232.41 g/mol
Exact Mass232.10
IUPAC Name[(1R,2R)-2-(1,3-dithiolan-2-ylmethyl)cyclohexyl]methanol
SMILESOC[C@@H]1CCCC[C@@H]1CC1SCCS1
InChIInChI=1S/C11H20OS2/c12-8-10-4-2-1-3-9(10)7-11-13-5-6-14-11/h9-12H,1-8H2/t9-,10+/m1/s1
InChIKeyWIUMSIXNJUQPOD-ZJUUUORDSA-N
XLogP2.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-(1,3-dithiolan-2-ylmethyl)cyclohexyl]methanol?
The IUPAC name of [(1R,2R)-2-(1,3-dithiolan-2-ylmethyl)cyclohexyl]methanol (CID 54432968) is [(1R,2R)-2-(1,3-dithiolan-2-ylmethyl)cyclohexyl]methanol.
What is the SMILES notation for [(1R,2R)-2-(1,3-dithiolan-2-ylmethyl)cyclohexyl]methanol?
The canonical SMILES for [(1R,2R)-2-(1,3-dithiolan-2-ylmethyl)cyclohexyl]methanol is OC[C@@H]1CCCC[C@@H]1CC1SCCS1.
What is the InChIKey of [(1R,2R)-2-(1,3-dithiolan-2-ylmethyl)cyclohexyl]methanol?
The InChIKey is WIUMSIXNJUQPOD-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H20OS2/c12-8-10-4-2-1-3-9(10)7-11-13-5-6-14-11/h9-12H,1-8H2/t9-,10+/m1/s1.
What are the key properties of [(1R,2R)-2-(1,3-dithiolan-2-ylmethyl)cyclohexyl]methanol?
[(1R,2R)-2-(1,3-dithiolan-2-ylmethyl)cyclohexyl]methanol has a molecular weight of 232.41 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-(1,3-dithiolan-2-ylmethyl)cyclohexyl]methanol is sourced from PubChem (CID 54432968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).