cyclohexene;1,1-dioxothian-4-ol;ethane

C15H32O3S — CID 166529079

IUPACcyclohexene;1,1-dioxothian-4-ol;ethane
SMILESC1=CCCCC1.CC.CC.O=S1(=O)CCC(O)CC1
InChIInChI=1S/C6H10.C5H10O3S.2C2H6/c1-2-4-6-5-3-1;6-5-1-3-9(7,8)4-2-5;2*1-2/h1-2H,3-6H2;5-6H,1-4H2;2*1-2H3
InChIKeyZGGOCGYCQNLIIS-UHFFFAOYSA-N
MW292.49 g/mol
LogP3.72
Rot. Bonds

About cyclohexene;1,1-dioxothian-4-ol;ethane

cyclohexene;1,1-dioxothian-4-ol;ethane (PubChem CID 166529079) has the molecular formula C15H32O3S and a molecular weight of 292.49 g/mol. Its IUPAC name is cyclohexene;1,1-dioxothian-4-ol;ethane.

Molecular Properties

Compound Namecyclohexene;1,1-dioxothian-4-ol;ethane
PubChem CID166529079
Molecular FormulaC15H32O3S
Molecular Weight292.49 g/mol
Exact Mass292.21
IUPAC Namecyclohexene;1,1-dioxothian-4-ol;ethane
SMILESC1=CCCCC1.CC.CC.O=S1(=O)CCC(O)CC1
InChIInChI=1S/C6H10.C5H10O3S.2C2H6/c1-2-4-6-5-3-1;6-5-1-3-9(7,8)4-2-5;2*1-2/h1-2H,3-6H2;5-6H,1-4H2;2*1-2H3
InChIKeyZGGOCGYCQNLIIS-UHFFFAOYSA-N
XLogP3.72
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 53.72
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

9-Thiabicyclo[3.3.1]non-6-en-2-ol 9,9-dioxide
CID 296640
(1S,2R,5S)-9,9-dioxo-9lambda6-thiabicyclo[3.3.1]non-6-en-2-ol
CID 825357
(1R,2S,5R)-9,9-dioxo-9lambda6-thiabicyclo[3.3.1]non-6-en-2-ol
CID 1238818
(1R,2R,5R)-9,9-dioxo-9lambda6-thiabicyclo[3.3.1]non-6-en-2-ol
CID 11878670
(1S)-1-[(2S)-1-oxo-2-[(E)-prop-1-enyl]-1,3-dithian-2-yl]propan-1-ol
CID 14737996
(1R)-1-[(2S)-1-oxo-2-[(E)-prop-1-enyl]-1,3-dithian-2-yl]propan-1-ol
CID 14737997
(1S,2S,5S)-9,9-dioxo-9lambda6-thiabicyclo[3.3.1]non-6-en-2-ol
CID 16057692
(1S,2S,5R)-9,9-dioxo-9lambda6-thiabicyclo[3.3.1]non-6-en-2-ol
CID 98392682
(1S,2R,5R)-9,9-dioxo-9lambda6-thiabicyclo[3.3.1]non-6-en-2-ol
CID 98392683
(1S)-1-[(2R)-1-oxo-2-[(E)-prop-1-enyl]-1,3-dithian-2-yl]propan-1-ol
CID 102060179
(1R)-1-[(2R)-1-oxo-2-[(E)-prop-1-enyl]-1,3-dithian-2-yl]propan-1-ol
CID 102060180
(Z)-4-(1,1-dioxothian-2-yl)but-3-en-1-ol
CID 117267625

Frequently Asked Questions

What is the IUPAC name of cyclohexene;1,1-dioxothian-4-ol;ethane?
The IUPAC name of cyclohexene;1,1-dioxothian-4-ol;ethane (CID 166529079) is cyclohexene;1,1-dioxothian-4-ol;ethane.
What is the SMILES notation for cyclohexene;1,1-dioxothian-4-ol;ethane?
The canonical SMILES for cyclohexene;1,1-dioxothian-4-ol;ethane is C1=CCCCC1.CC.CC.O=S1(=O)CCC(O)CC1.
What is the InChIKey of cyclohexene;1,1-dioxothian-4-ol;ethane?
The InChIKey is ZGGOCGYCQNLIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10.C5H10O3S.2C2H6/c1-2-4-6-5-3-1;6-5-1-3-9(7,8)4-2-5;2*1-2/h1-2H,3-6H2;5-6H,1-4H2;2*1-2H3.
What are the key properties of cyclohexene;1,1-dioxothian-4-ol;ethane?
cyclohexene;1,1-dioxothian-4-ol;ethane has a molecular weight of 292.49 g/mol, XLogP of 3.72, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexene;1,1-dioxothian-4-ol;ethane is sourced from PubChem (CID 166529079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).