1-chlorosulfonyloxy-7,7-dimethylbicyclo[2.2.1]heptane

C9H15ClO3S — CID 55279434

IUPAC1-chlorosulfonyloxy-7,7-dimethylbicyclo[2.2.1]heptane
SMILESCC1(C)C2CCC1(OS(=O)(=O)Cl)CC2
InChIInChI=1S/C9H15ClO3S/c1-8(2)7-3-5-9(8,6-4-7)13-14(10,11)12/h7H,3-6H2,1-2H3
InChIKeyXAGWUEKADIFAHI-UHFFFAOYSA-N
MW238.74 g/mol
LogP2.46
Rot. Bonds2

About 1-chlorosulfonyloxy-7,7-dimethylbicyclo[2.2.1]heptane

1-chlorosulfonyloxy-7,7-dimethylbicyclo[2.2.1]heptane (PubChem CID 55279434) has the molecular formula C9H15ClO3S and a molecular weight of 238.74 g/mol. Its IUPAC name is 1-chlorosulfonyloxy-7,7-dimethylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name1-chlorosulfonyloxy-7,7-dimethylbicyclo[2.2.1]heptane
PubChem CID55279434
Molecular FormulaC9H15ClO3S
Molecular Weight238.74 g/mol
Exact Mass238.04
IUPAC Name1-chlorosulfonyloxy-7,7-dimethylbicyclo[2.2.1]heptane
SMILESCC1(C)C2CCC1(OS(=O)(=O)Cl)CC2
InChIInChI=1S/C9H15ClO3S/c1-8(2)7-3-5-9(8,6-4-7)13-14(10,11)12/h7H,3-6H2,1-2H3
InChIKeyXAGWUEKADIFAHI-UHFFFAOYSA-N
XLogP2.46
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.74
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-chlorosulfonyloxy-7,7-dimethylbicyclo[2.2.1]heptane?
The IUPAC name of 1-chlorosulfonyloxy-7,7-dimethylbicyclo[2.2.1]heptane (CID 55279434) is 1-chlorosulfonyloxy-7,7-dimethylbicyclo[2.2.1]heptane.
What is the SMILES notation for 1-chlorosulfonyloxy-7,7-dimethylbicyclo[2.2.1]heptane?
The canonical SMILES for 1-chlorosulfonyloxy-7,7-dimethylbicyclo[2.2.1]heptane is CC1(C)C2CCC1(OS(=O)(=O)Cl)CC2.
What is the InChIKey of 1-chlorosulfonyloxy-7,7-dimethylbicyclo[2.2.1]heptane?
The InChIKey is XAGWUEKADIFAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClO3S/c1-8(2)7-3-5-9(8,6-4-7)13-14(10,11)12/h7H,3-6H2,1-2H3.
What are the key properties of 1-chlorosulfonyloxy-7,7-dimethylbicyclo[2.2.1]heptane?
1-chlorosulfonyloxy-7,7-dimethylbicyclo[2.2.1]heptane has a molecular weight of 238.74 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorosulfonyloxy-7,7-dimethylbicyclo[2.2.1]heptane is sourced from PubChem (CID 55279434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).