2-cyclohexyl-1,3-dithian-5-ol

C10H18OS2 — CID 18363963

IUPAC2-cyclohexyl-1,3-dithian-5-ol
SMILESOC1CSC(C2CCCCC2)SC1
InChIInChI=1S/C10H18OS2/c11-9-6-12-10(13-7-9)8-4-2-1-3-5-8/h8-11H,1-7H2
InChIKeyUYUBCMHDRRKEQR-UHFFFAOYSA-N
MW218.39 g/mol
LogP2.73
Rot. Bonds1

About 2-cyclohexyl-1,3-dithian-5-ol

2-cyclohexyl-1,3-dithian-5-ol (PubChem CID 18363963) has the molecular formula C10H18OS2 and a molecular weight of 218.39 g/mol. Its IUPAC name is 2-cyclohexyl-1,3-dithian-5-ol.

Molecular Properties

Compound Name2-cyclohexyl-1,3-dithian-5-ol
PubChem CID18363963
Molecular FormulaC10H18OS2
Molecular Weight218.39 g/mol
Exact Mass218.08
IUPAC Name2-cyclohexyl-1,3-dithian-5-ol
SMILESOC1CSC(C2CCCCC2)SC1
InChIInChI=1S/C10H18OS2/c11-9-6-12-10(13-7-9)8-4-2-1-3-5-8/h8-11H,1-7H2
InChIKeyUYUBCMHDRRKEQR-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-cyclohexyl-1,3-dithian-5-ol?
The IUPAC name of 2-cyclohexyl-1,3-dithian-5-ol (CID 18363963) is 2-cyclohexyl-1,3-dithian-5-ol.
What is the SMILES notation for 2-cyclohexyl-1,3-dithian-5-ol?
The canonical SMILES for 2-cyclohexyl-1,3-dithian-5-ol is OC1CSC(C2CCCCC2)SC1.
What is the InChIKey of 2-cyclohexyl-1,3-dithian-5-ol?
The InChIKey is UYUBCMHDRRKEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18OS2/c11-9-6-12-10(13-7-9)8-4-2-1-3-5-8/h8-11H,1-7H2.
What are the key properties of 2-cyclohexyl-1,3-dithian-5-ol?
2-cyclohexyl-1,3-dithian-5-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-cyclohexyl-1,3-dithian-5-ol is sourced from PubChem (CID 18363963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).