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

C10H18OS2 — CID 22891764

IUPAC2-(1,3-dithian-2-yl)cyclohexan-1-ol
SMILESOC1CCCCC1C1SCCCS1
InChIInChI=1S/C10H18OS2/c11-9-5-2-1-4-8(9)10-12-6-3-7-13-10/h8-11H,1-7H2
InChIKeyVLSOAPOHTFRDKB-UHFFFAOYSA-N
MW218.39 g/mol
LogP2.73
Rot. Bonds1

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

2-(1,3-dithian-2-yl)cyclohexan-1-ol (PubChem CID 22891764) has the molecular formula C10H18OS2 and a molecular weight of 218.39 g/mol. Its IUPAC name is 2-(1,3-dithian-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(1,3-dithian-2-yl)cyclohexan-1-ol
PubChem CID22891764
Molecular FormulaC10H18OS2
Molecular Weight218.39 g/mol
Exact Mass218.08
IUPAC Name2-(1,3-dithian-2-yl)cyclohexan-1-ol
SMILESOC1CCCCC1C1SCCCS1
InChIInChI=1S/C10H18OS2/c11-9-5-2-1-4-8(9)10-12-6-3-7-13-10/h8-11H,1-7H2
InChIKeyVLSOAPOHTFRDKB-UHFFFAOYSA-N
XLogP2.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dithian-2-yl)cyclohexan-1-ol?
The IUPAC name of 2-(1,3-dithian-2-yl)cyclohexan-1-ol (CID 22891764) is 2-(1,3-dithian-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 2-(1,3-dithian-2-yl)cyclohexan-1-ol?
The canonical SMILES for 2-(1,3-dithian-2-yl)cyclohexan-1-ol is OC1CCCCC1C1SCCCS1.
What is the InChIKey of 2-(1,3-dithian-2-yl)cyclohexan-1-ol?
The InChIKey is VLSOAPOHTFRDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS2/c11-9-5-2-1-4-8(9)10-12-6-3-7-13-10/h8-11H,1-7H2.
What are the key properties of 2-(1,3-dithian-2-yl)cyclohexan-1-ol?
2-(1,3-dithian-2-yl)cyclohexan-1-ol has a molecular weight of 218.39 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dithian-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 22891764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).