1-(1,3-dithian-2-yl)cyclohex-2-en-1-ol

C10H16OS2 — CID 10998449

IUPAC1-(1,3-dithian-2-yl)cyclohex-2-en-1-ol
SMILESOC1(C2SCCCS2)C=CCCC1
InChIInChI=1S/C10H16OS2/c11-10(5-2-1-3-6-10)9-12-7-4-8-13-9/h2,5,9,11H,1,3-4,6-8H2
InChIKeyBXAYQNWOCOYACP-UHFFFAOYSA-N
MW216.37 g/mol
LogP2.65
Rot. Bonds1

About 1-(1,3-dithian-2-yl)cyclohex-2-en-1-ol

1-(1,3-dithian-2-yl)cyclohex-2-en-1-ol (PubChem CID 10998449) has the molecular formula C10H16OS2 and a molecular weight of 216.37 g/mol. Its IUPAC name is 1-(1,3-dithian-2-yl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name1-(1,3-dithian-2-yl)cyclohex-2-en-1-ol
PubChem CID10998449
Molecular FormulaC10H16OS2
Molecular Weight216.37 g/mol
Exact Mass216.06
IUPAC Name1-(1,3-dithian-2-yl)cyclohex-2-en-1-ol
SMILESOC1(C2SCCCS2)C=CCCC1
InChIInChI=1S/C10H16OS2/c11-10(5-2-1-3-6-10)9-12-7-4-8-13-9/h2,5,9,11H,1,3-4,6-8H2
InChIKeyBXAYQNWOCOYACP-UHFFFAOYSA-N
XLogP2.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-Methyl-1,3-dithian-2-yl)-2-cyclohexen-1-ol
CID 583768
1-(Methylsulfanylmethyl)cyclohex-2-en-1-ol
CID 13530217
2-Cyclohexen-1-ol, 1-(1,3-dithian-2-yl)-2-methyl-
CID 10609519
1-(1,3-Dithian-2-yl)cyclopent-2-en-1-ol
CID 12473102
1-(2-Trimethylsilyl-1,3-dithian-2-yl)cyclohex-2-en-1-ol
CID 12473104
1-(1,3-Dithian-2-yl)cyclohept-2-en-1-ol
CID 12473105
1-[[Iodo(dimethyl)-lambda4-sulfanyl]methyl]cyclohex-2-en-1-ol
CID 13530218
(1-Hydroxycyclohex-2-en-1-yl)methyl-dimethylsulfanium iodide
CID 86134012
1-(Cyclohexen-1-yl)-1-(2-methyl-1,3-dithian-2-yl)ethanol
CID 16126016
1-(2-Propan-2-yl-1,3-dithian-2-yl)cyclohex-2-en-1-ol
CID 10422661
1-[Tert-butylsulfanyl(methylsulfanyl)methyl]cyclohex-2-en-1-ol
CID 10634196
(1R)-1-(1,3-dithian-2-yl)cyclohex-2-en-1-ol
CID 12473103

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dithian-2-yl)cyclohex-2-en-1-ol?
The IUPAC name of 1-(1,3-dithian-2-yl)cyclohex-2-en-1-ol (CID 10998449) is 1-(1,3-dithian-2-yl)cyclohex-2-en-1-ol.
What is the SMILES notation for 1-(1,3-dithian-2-yl)cyclohex-2-en-1-ol?
The canonical SMILES for 1-(1,3-dithian-2-yl)cyclohex-2-en-1-ol is OC1(C2SCCCS2)C=CCCC1.
What is the InChIKey of 1-(1,3-dithian-2-yl)cyclohex-2-en-1-ol?
The InChIKey is BXAYQNWOCOYACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16OS2/c11-10(5-2-1-3-6-10)9-12-7-4-8-13-9/h2,5,9,11H,1,3-4,6-8H2.
What are the key properties of 1-(1,3-dithian-2-yl)cyclohex-2-en-1-ol?
1-(1,3-dithian-2-yl)cyclohex-2-en-1-ol has a molecular weight of 216.37 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dithian-2-yl)cyclohex-2-en-1-ol is sourced from PubChem (CID 10998449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).