(7,7-dimethyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-yl)methanol

C11H20O3S — CID 115039120

IUPAC(7,7-dimethyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-yl)methanol
SMILESCC1(C)CC2CS(=O)(=O)CC(C1)C2CO
InChIInChI=1S/C11H20O3S/c1-11(2)3-8-6-15(13,14)7-9(4-11)10(8)5-12/h8-10,12H,3-7H2,1-2H3
InChIKeyGMDZEBJOQJWKMT-UHFFFAOYSA-N
MW232.34 g/mol
LogP1.08
Rot. Bonds1

About (7,7-dimethyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-yl)methanol

(7,7-dimethyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-yl)methanol (PubChem CID 115039120) has the molecular formula C11H20O3S and a molecular weight of 232.34 g/mol. Its IUPAC name is (7,7-dimethyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-yl)methanol.

Molecular Properties

Compound Name(7,7-dimethyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-yl)methanol
PubChem CID115039120
Molecular FormulaC11H20O3S
Molecular Weight232.34 g/mol
Exact Mass232.11
IUPAC Name(7,7-dimethyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-yl)methanol
SMILESCC1(C)CC2CS(=O)(=O)CC(C1)C2CO
InChIInChI=1S/C11H20O3S/c1-11(2)3-8-6-15(13,14)7-9(4-11)10(8)5-12/h8-10,12H,3-7H2,1-2H3
InChIKeyGMDZEBJOQJWKMT-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7-Fluoro-7-methyl-3,3-dioxo-3lambda6-thiabicyclo[3.3.1]nonan-9-yl)methanol
CID 115041494
2-(6,6-Dimethyl-2-bicyclo[3.1.1]heptanyl)-1-methylsulfonylethanol
CID 69476426
1-(4,4-Dimethylcyclohexyl)-4-ethylsulfonylbutan-1-ol
CID 65391199
1-(4-Tert-butylcyclohexyl)-3-methylsulfonylpropan-1-ol
CID 65401120
1-(4-Tert-butylcyclohexyl)-4-methylsulfonylbutan-1-ol
CID 65401317
[4-Tert-butyl-1-(3-ethylsulfonylpropyl)cyclohexyl]methanol
CID 66023920
[4-Tert-butyl-1-(2-methylsulfonylethyl)cyclohexyl]methanol
CID 66023924
[4-Butyl-1-(3-methylsulfonylpropyl)cyclohexyl]methanol
CID 66024074
[4-Butyl-1-(2-ethylsulfonylethyl)cyclohexyl]methanol
CID 66024076
[4-Tert-butyl-1-(2-ethylsulfonylethyl)cyclohexyl]methanol
CID 66024149
[4-Tert-butyl-1-(3-methylsulfonylpropyl)cyclohexyl]methanol
CID 66024580
[4-Butyl-1-(1,1-dioxothiolan-3-yl)cyclohexyl]methanol
CID 66024950

Frequently Asked Questions

What is the IUPAC name of (7,7-dimethyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-yl)methanol?
The IUPAC name of (7,7-dimethyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-yl)methanol (CID 115039120) is (7,7-dimethyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-yl)methanol.
What is the SMILES notation for (7,7-dimethyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-yl)methanol?
The canonical SMILES for (7,7-dimethyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-yl)methanol is CC1(C)CC2CS(=O)(=O)CC(C1)C2CO.
What is the InChIKey of (7,7-dimethyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-yl)methanol?
The InChIKey is GMDZEBJOQJWKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3S/c1-11(2)3-8-6-15(13,14)7-9(4-11)10(8)5-12/h8-10,12H,3-7H2,1-2H3.
What are the key properties of (7,7-dimethyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-yl)methanol?
(7,7-dimethyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-yl)methanol has a molecular weight of 232.34 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7,7-dimethyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-yl)methanol is sourced from PubChem (CID 115039120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).