[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyloxy-diethylstannyl] (7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate

C24H40O8S2Sn — CID 16682832

IUPAC[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyloxy-diethylstannyl] (7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate
SMILESCC[Sn](CC)(OS(=O)(=O)CC12CCC(CC1=O)C2(C)C)OS(=O)(=O)CC12CCC(CC1=O)C2(C)C
InChIInChI=1S/2C10H16O4S.2C2H5.Sn/c2*1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14;2*1-2;/h2*7H,3-6H2,1-2H3,(H,12,13,14);2*1H2,2H3;/q;;;;+2/p-2
InChIKeySMEKONNHBHVNJU-UHFFFAOYSA-L
MW639.42 g/mol
LogP3.95
Rot. Bonds10

About [(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyloxy-diethylstannyl] (7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate

[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyloxy-diethylstannyl] (7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate (PubChem CID 16682832) has the molecular formula C24H40O8S2Sn and a molecular weight of 639.42 g/mol. Its IUPAC name is [(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyloxy-diethylstannyl] (7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate.

Molecular Properties

Compound Name[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyloxy-diethylstannyl] (7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate
PubChem CID16682832
Molecular FormulaC24H40O8S2Sn
Molecular Weight639.42 g/mol
Exact Mass640.12
IUPAC Name[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyloxy-diethylstannyl] (7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate
SMILESCC[Sn](CC)(OS(=O)(=O)CC12CCC(CC1=O)C2(C)C)OS(=O)(=O)CC12CCC(CC1=O)C2(C)C
InChIInChI=1S/2C10H16O4S.2C2H5.Sn/c2*1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14;2*1-2;/h2*7H,3-6H2,1-2H3,(H,12,13,14);2*1H2,2H3;/q;;;;+2/p-2
InChIKeySMEKONNHBHVNJU-UHFFFAOYSA-L
XLogP3.95
TPSA120.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500639.42
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyloxy-diethylstannyl] (7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyloxy-diethylstannyl] (7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate?
The IUPAC name of [(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyloxy-diethylstannyl] (7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate (CID 16682832) is [(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyloxy-diethylstannyl] (7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate.
What is the SMILES notation for [(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyloxy-diethylstannyl] (7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate?
The canonical SMILES for [(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyloxy-diethylstannyl] (7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate is CC[Sn](CC)(OS(=O)(=O)CC12CCC(CC1=O)C2(C)C)OS(=O)(=O)CC12CCC(CC1=O)C2(C)C.
What is the InChIKey of [(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyloxy-diethylstannyl] (7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate?
The InChIKey is SMEKONNHBHVNJU-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H16O4S.2C2H5.Sn/c2*1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14;2*1-2;/h2*7H,3-6H2,1-2H3,(H,12,13,14);2*1H2,2H3;/q;;;;+2/p-2.
What are the key properties of [(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyloxy-diethylstannyl] (7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate?
[(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyloxy-diethylstannyl] (7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate has a molecular weight of 639.42 g/mol, XLogP of 3.95, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methylsulfonyloxy-diethylstannyl] (7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl)methanesulfonate is sourced from PubChem (CID 16682832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).