7,7-dimethyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-ol

C10H18O3S — CID 115030940

IUPAC7,7-dimethyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-ol
SMILESCC1(C)CC2CS(=O)(=O)CC(C1)C2O
InChIInChI=1S/C10H18O3S/c1-10(2)3-7-5-14(12,13)6-8(4-10)9(7)11/h7-9,11H,3-6H2,1-2H3
InChIKeyLFXOVTKCSLMAGB-UHFFFAOYSA-N
MW218.32 g/mol
LogP0.83
Rot. Bonds

About 7,7-dimethyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-ol

7,7-dimethyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-ol (PubChem CID 115030940) has the molecular formula C10H18O3S and a molecular weight of 218.32 g/mol. Its IUPAC name is 7,7-dimethyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-ol.

Molecular Properties

Compound Name7,7-dimethyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-ol
PubChem CID115030940
Molecular FormulaC10H18O3S
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Name7,7-dimethyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-ol
SMILESCC1(C)CC2CS(=O)(=O)CC(C1)C2O
InChIInChI=1S/C10H18O3S/c1-10(2)3-7-5-14(12,13)6-8(4-10)9(7)11/h7-9,11H,3-6H2,1-2H3
InChIKeyLFXOVTKCSLMAGB-UHFFFAOYSA-N
XLogP0.83
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7,7-dimethyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-ol with MolForge

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Related Compounds

7-Fluoro-7-methyl-3,3-dioxo-3lambda6-thiabicyclo[3.3.1]nonan-9-ol
CID 115033318
7,7-Difluoro-3,3-dioxo-3lambda6-thiabicyclo[3.3.1]nonan-9-ol
CID 115035491
Thiolane 1,1-dioxide;2,4,6-trimethylcyclohexan-1-ol
CID 158944127
2-(2-Ethylsulfonylethyl)-4-propan-2-ylcyclohexan-1-ol
CID 55106625
4-Ethyl-2-(2-methylsulfonylethyl)cyclohexan-1-ol
CID 61748609
4-Ethyl-2-(2-ethylsulfonylethyl)cyclohexan-1-ol
CID 61748611
2-(2-Methylsulfonylethyl)-4-propylcyclohexan-1-ol
CID 61749004
4-Tert-butyl-2-(2-methylsulfonylethyl)cyclohexan-1-ol
CID 61749017
4-Tert-butyl-2-(1,1-dioxothiolan-3-yl)cyclohexan-1-ol
CID 61749202
4-Tert-butyl-2-(2-ethylsulfonylethyl)cyclohexan-1-ol
CID 61749203
4-Methyl-2-(2-methylsulfonylethyl)cyclohexan-1-ol
CID 61749593
2-(2-Ethylsulfonylethyl)-4-methylcyclohexan-1-ol
CID 61749595

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-ol?
The IUPAC name of 7,7-dimethyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-ol (CID 115030940) is 7,7-dimethyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-ol.
What is the SMILES notation for 7,7-dimethyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-ol?
The canonical SMILES for 7,7-dimethyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-ol is CC1(C)CC2CS(=O)(=O)CC(C1)C2O.
What is the InChIKey of 7,7-dimethyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-ol?
The InChIKey is LFXOVTKCSLMAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3S/c1-10(2)3-7-5-14(12,13)6-8(4-10)9(7)11/h7-9,11H,3-6H2,1-2H3.
What are the key properties of 7,7-dimethyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-ol?
7,7-dimethyl-3,3-dioxo-3λ6-thiabicyclo[3.3.1]nonan-9-ol has a molecular weight of 218.32 g/mol, XLogP of 0.83, 0 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-ol is sourced from PubChem (CID 115030940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).