6,6-dioxo-6lambda6,7-dithiabicyclo[3.2.1]octan-8-ol

C6H10O3S2 — CID 15716250

IUPAC6,6-dioxo-6lambda6,7-dithiabicyclo[3.2.1]octan-8-ol
SMILESO=S1(=O)SC2CCCC1C2O
InChIInChI=1S/C6H10O3S2/c7-6-4-2-1-3-5(6)11(8,9)10-4/h4-7H,1-3H2
InChIKeyPDDKRMHSNQXJAQ-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.34
Rot. Bonds

About 6,6-dioxo-6lambda6,7-dithiabicyclo[3.2.1]octan-8-ol

6,6-dioxo-6lambda6,7-dithiabicyclo[3.2.1]octan-8-ol (PubChem CID 15716250) has the molecular formula C6H10O3S2 and a molecular weight of 194.28 g/mol. Its IUPAC name is 6,6-dioxo-6lambda6,7-dithiabicyclo[3.2.1]octan-8-ol.

Molecular Properties

Compound Name6,6-dioxo-6lambda6,7-dithiabicyclo[3.2.1]octan-8-ol
PubChem CID15716250
Molecular FormulaC6H10O3S2
Molecular Weight194.28 g/mol
Exact Mass194.01
IUPAC Name6,6-dioxo-6lambda6,7-dithiabicyclo[3.2.1]octan-8-ol
SMILESO=S1(=O)SC2CCCC1C2O
InChIInChI=1S/C6H10O3S2/c7-6-4-2-1-3-5(6)11(8,9)10-4/h4-7H,1-3H2
InChIKeyPDDKRMHSNQXJAQ-UHFFFAOYSA-N
XLogP0.34
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6,6-dioxo-6lambda6,7-dithiabicyclo[3.2.1]octan-8-ol with MolForge

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Launch Full Analysis

Related Compounds

(1S,2S,5S)-9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-2-ol
CID 99952895
1,1-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]dithiol-3-one
CID 59961278
(3aS,4R,7aS)-1,1-dioxo-2,3,3a,4,5,6,7,7a-octahydro-1-benzothiophen-4-ol
CID 15064760
9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-ol
CID 171951267
cyclobutanol;cyclopropanol
CID 175019048
cyclobutanecarboxylic acid;hydrofluoride
CID 161438543
(1R,5S)-bicyclo[3.2.0]heptane-6,7-diol
CID 22814734
1-(2,6-dimethylcyclohexyl)azetidine-3-carboxylic acid
CID 65072053
8λ6-thiabicyclo[3.2.1]octane 8,8-dioxide
CID 177255740
cyclohexane-1,3-dicarboxylic acid;hydrochloride
CID 66831314
2-[(1S,2R)-2-hydroxycyclopentyl]acetic acid
CID 22800145
5,6,12,13-tetrathiatricyclo[9.2.0.04,7]tridecan-2-amine
CID 146424227

Frequently Asked Questions

What is the IUPAC name of 6,6-dioxo-6lambda6,7-dithiabicyclo[3.2.1]octan-8-ol?
The IUPAC name of 6,6-dioxo-6lambda6,7-dithiabicyclo[3.2.1]octan-8-ol (CID 15716250) is 6,6-dioxo-6lambda6,7-dithiabicyclo[3.2.1]octan-8-ol.
What is the SMILES notation for 6,6-dioxo-6lambda6,7-dithiabicyclo[3.2.1]octan-8-ol?
The canonical SMILES for 6,6-dioxo-6lambda6,7-dithiabicyclo[3.2.1]octan-8-ol is O=S1(=O)SC2CCCC1C2O.
What is the InChIKey of 6,6-dioxo-6lambda6,7-dithiabicyclo[3.2.1]octan-8-ol?
The InChIKey is PDDKRMHSNQXJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3S2/c7-6-4-2-1-3-5(6)11(8,9)10-4/h4-7H,1-3H2.
What are the key properties of 6,6-dioxo-6lambda6,7-dithiabicyclo[3.2.1]octan-8-ol?
6,6-dioxo-6lambda6,7-dithiabicyclo[3.2.1]octan-8-ol has a molecular weight of 194.28 g/mol, XLogP of 0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dioxo-6lambda6,7-dithiabicyclo[3.2.1]octan-8-ol is sourced from PubChem (CID 15716250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).