3-cyclohexyl-1,1-dioxothiolan-3-ol

C10H18O3S — CID 63162854

IUPAC3-cyclohexyl-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)CCC(O)(C2CCCCC2)C1
InChIInChI=1S/C10H18O3S/c11-10(6-7-14(12,13)8-10)9-4-2-1-3-5-9/h9,11H,1-8H2
InChIKeyPBUXPMQAJLUQHD-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.12
Rot. Bonds1

About 3-cyclohexyl-1,1-dioxothiolan-3-ol

3-cyclohexyl-1,1-dioxothiolan-3-ol (PubChem CID 63162854) has the molecular formula C10H18O3S and a molecular weight of 218.32 g/mol. Its IUPAC name is 3-cyclohexyl-1,1-dioxothiolan-3-ol.

Molecular Properties

Compound Name3-cyclohexyl-1,1-dioxothiolan-3-ol
PubChem CID63162854
Molecular FormulaC10H18O3S
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Name3-cyclohexyl-1,1-dioxothiolan-3-ol
SMILESO=S1(=O)CCC(O)(C2CCCCC2)C1
InChIInChI=1S/C10H18O3S/c11-10(6-7-14(12,13)8-10)9-4-2-1-3-5-9/h9,11H,1-8H2
InChIKeyPBUXPMQAJLUQHD-UHFFFAOYSA-N
XLogP1.12
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,1-dioxothian-3-yl)cyclohexan-1-ol
CID 115073913
(3aS)-1,2,3,4,5,6,7,7a-octahydroinden-3a-ol
CID 102059632
3-(cyclohexylmethyl)-1,1-dioxothiolan-3-amine
CID 115338022
(3aS,7aR)-1,1-dioxo-3,4,5,6,7,7a-hexahydro-2H-1-benzothiophen-3a-ol
CID 639732
4-cycloheptyl-1-methylpiperidin-4-ol
CID 82928068
(3R)-3-methyl-1,1-dioxothiolan-3-ol
CID 95023797
3-cyclohexylpyrrolidin-3-ol;hydrochloride
CID 3051561
4-cyclohexylpiperidin-4-ol
CID 44598718
N-cyclohexyl-3-methyl-1,1-dioxothiolan-3-amine
CID 43679840
N-cycloheptyl-3-methyl-1,1-dioxothiolan-3-amine
CID 43679751
3-ethyl-1,1-dioxothiolan-3-ol
CID 63162812
(4aR,8aR)-2,3,4,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ium-4a-ol
CID 6936934

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1,1-dioxothiolan-3-ol?
The IUPAC name of 3-cyclohexyl-1,1-dioxothiolan-3-ol (CID 63162854) is 3-cyclohexyl-1,1-dioxothiolan-3-ol.
What is the SMILES notation for 3-cyclohexyl-1,1-dioxothiolan-3-ol?
The canonical SMILES for 3-cyclohexyl-1,1-dioxothiolan-3-ol is O=S1(=O)CCC(O)(C2CCCCC2)C1.
What is the InChIKey of 3-cyclohexyl-1,1-dioxothiolan-3-ol?
The InChIKey is PBUXPMQAJLUQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3S/c11-10(6-7-14(12,13)8-10)9-4-2-1-3-5-9/h9,11H,1-8H2.
What are the key properties of 3-cyclohexyl-1,1-dioxothiolan-3-ol?
3-cyclohexyl-1,1-dioxothiolan-3-ol has a molecular weight of 218.32 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1,1-dioxothiolan-3-ol is sourced from PubChem (CID 63162854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).