sulfuryl dichloride;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one

C10H16Cl2O3S — CID 18963492

IUPACsulfuryl dichloride;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
SMILESCC12CCC(CC1=O)C2(C)C.O=S(=O)(Cl)Cl
InChIInChI=1S/C10H16O.Cl2O2S/c1-9(2)7-4-5-10(9,3)8(11)6-7;1-5(2,3)4/h7H,4-6H2,1-3H3;
InChIKeyYGIYXPDSUCRWCW-UHFFFAOYSA-N
MW287.21 g/mol
LogP3.11
Rot. Bonds

About sulfuryl dichloride;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one

sulfuryl dichloride;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one (PubChem CID 18963492) has the molecular formula C10H16Cl2O3S and a molecular weight of 287.21 g/mol. Its IUPAC name is sulfuryl dichloride;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Namesulfuryl dichloride;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
PubChem CID18963492
Molecular FormulaC10H16Cl2O3S
Molecular Weight287.21 g/mol
Exact Mass286.02
IUPAC Namesulfuryl dichloride;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
SMILESCC12CCC(CC1=O)C2(C)C.O=S(=O)(Cl)Cl
InChIInChI=1S/C10H16O.Cl2O2S/c1-9(2)7-4-5-10(9,3)8(11)6-7;1-5(2,3)4/h7H,4-6H2,1-3H3;
InChIKeyYGIYXPDSUCRWCW-UHFFFAOYSA-N
XLogP3.11
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.21
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sulfuryl dichloride;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one?
The IUPAC name of sulfuryl dichloride;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one (CID 18963492) is sulfuryl dichloride;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for sulfuryl dichloride;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one?
The canonical SMILES for sulfuryl dichloride;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one is CC12CCC(CC1=O)C2(C)C.O=S(=O)(Cl)Cl.
What is the InChIKey of sulfuryl dichloride;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one?
The InChIKey is YGIYXPDSUCRWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O.Cl2O2S/c1-9(2)7-4-5-10(9,3)8(11)6-7;1-5(2,3)4/h7H,4-6H2,1-3H3;.
What are the key properties of sulfuryl dichloride;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one?
sulfuryl dichloride;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one has a molecular weight of 287.21 g/mol, XLogP of 3.11, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sulfuryl dichloride;1,7,7-trimethylbicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 18963492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).