1-(1,1-dioxothian-3-yl)cyclohexan-1-ol

C11H20O3S — CID 115073913

IUPAC1-(1,1-dioxothian-3-yl)cyclohexan-1-ol
SMILESO=S1(=O)CCCC(C2(O)CCCCC2)C1
InChIInChI=1S/C11H20O3S/c12-11(6-2-1-3-7-11)10-5-4-8-15(13,14)9-10/h10,12H,1-9H2
InChIKeyAIPGAJHJMJCXNS-UHFFFAOYSA-N
MW232.34 g/mol
LogP1.51
Rot. Bonds1

About 1-(1,1-dioxothian-3-yl)cyclohexan-1-ol

1-(1,1-dioxothian-3-yl)cyclohexan-1-ol (PubChem CID 115073913) has the molecular formula C11H20O3S and a molecular weight of 232.34 g/mol. Its IUPAC name is 1-(1,1-dioxothian-3-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(1,1-dioxothian-3-yl)cyclohexan-1-ol
PubChem CID115073913
Molecular FormulaC11H20O3S
Molecular Weight232.34 g/mol
Exact Mass232.11
IUPAC Name1-(1,1-dioxothian-3-yl)cyclohexan-1-ol
SMILESO=S1(=O)CCCC(C2(O)CCCCC2)C1
InChIInChI=1S/C11H20O3S/c12-11(6-2-1-3-7-11)10-5-4-8-15(13,14)9-10/h10,12H,1-9H2
InChIKeyAIPGAJHJMJCXNS-UHFFFAOYSA-N
XLogP1.51
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclohexyl-1,1-dioxothiolan-3-ol
CID 63162854
(3aS)-1,2,3,4,5,6,7,7a-octahydroinden-3a-ol
CID 102059632
3-(1,1-dioxothian-3-yl)-3-isocyanatocyclobutan-1-ol
CID 115045580
1-(1,1-dioxothiolan-3-yl)cyclooctane-1-carboxylic acid
CID 80610840
1-(1,1-dioxothiolan-3-yl)cyclooctan-1-amine
CID 80603828
3-(1-isocyanato-3,3-dimethylcyclobutyl)thiane 1,1-dioxide
CID 115048075
4-(1-hydroxycyclopentyl)cycloheptan-1-ol
CID 173416259
(3aS,7aR)-1,1-dioxo-3,4,5,6,7,7a-hexahydro-2H-1-benzothiophen-3a-ol
CID 639732
1-(azetidin-3-yl)cyclohexan-1-ol
CID 130510137
1-(1-oxaspiro[5.5]undecan-4-yl)cyclohexan-1-ol
CID 79900915
4-(1-hydroxycyclohexyl)oxolan-2-one
CID 12664730
(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 1-(1,1-dioxothian-3-yl)cyclohexan-1-ol?
The IUPAC name of 1-(1,1-dioxothian-3-yl)cyclohexan-1-ol (CID 115073913) is 1-(1,1-dioxothian-3-yl)cyclohexan-1-ol.
What is the SMILES notation for 1-(1,1-dioxothian-3-yl)cyclohexan-1-ol?
The canonical SMILES for 1-(1,1-dioxothian-3-yl)cyclohexan-1-ol is O=S1(=O)CCCC(C2(O)CCCCC2)C1.
What is the InChIKey of 1-(1,1-dioxothian-3-yl)cyclohexan-1-ol?
The InChIKey is AIPGAJHJMJCXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3S/c12-11(6-2-1-3-7-11)10-5-4-8-15(13,14)9-10/h10,12H,1-9H2.
What are the key properties of 1-(1,1-dioxothian-3-yl)cyclohexan-1-ol?
1-(1,1-dioxothian-3-yl)cyclohexan-1-ol has a molecular weight of 232.34 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothian-3-yl)cyclohexan-1-ol is sourced from PubChem (CID 115073913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).