bis(bicyclo[2.2.1]hepta-1,3-diene);rhodium;perchlorate

C14H16ClO4Rh- — CID 158798211

IUPACbis(bicyclo[2.2.1]hepta-1,3-diene);rhodium;perchlorate
SMILESC1=C2CCC(=C1)C2.C1=C2CCC(=C1)C2.[O-][Cl+3]([O-])([O-])[O-].[Rh]
InChIInChI=1S/2C7H8.ClHO4.Rh/c2*1-2-7-4-3-6(1)5-7;2-1(3,4)5;/h2*1-2H,3-5H2;(H,2,3,4,5);/p-1
InChIKeyXSQXRHPNRBMVFU-UHFFFAOYSA-M
MW386.64 g/mol
LogP-0.69
Rot. Bonds

About bis(bicyclo[2.2.1]hepta-1,3-diene);rhodium;perchlorate

bis(bicyclo[2.2.1]hepta-1,3-diene);rhodium;perchlorate (PubChem CID 158798211) has the molecular formula C14H16ClO4Rh- and a molecular weight of 386.64 g/mol. Its IUPAC name is bis(bicyclo[2.2.1]hepta-1,3-diene);rhodium;perchlorate.

Molecular Properties

Compound Namebis(bicyclo[2.2.1]hepta-1,3-diene);rhodium;perchlorate
PubChem CID158798211
Molecular FormulaC14H16ClO4Rh-
Molecular Weight386.64 g/mol
Exact Mass385.98
IUPAC Namebis(bicyclo[2.2.1]hepta-1,3-diene);rhodium;perchlorate
SMILESC1=C2CCC(=C1)C2.C1=C2CCC(=C1)C2.[O-][Cl+3]([O-])([O-])[O-].[Rh]
InChIInChI=1S/2C7H8.ClHO4.Rh/c2*1-2-7-4-3-6(1)5-7;2-1(3,4)5;/h2*1-2H,3-5H2;(H,2,3,4,5);/p-1
InChIKeyXSQXRHPNRBMVFU-UHFFFAOYSA-M
XLogP-0.69
TPSA92.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.64
LogP ≤ 5-0.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of bis(bicyclo[2.2.1]hepta-1,3-diene);rhodium;perchlorate?
The IUPAC name of bis(bicyclo[2.2.1]hepta-1,3-diene);rhodium;perchlorate (CID 158798211) is bis(bicyclo[2.2.1]hepta-1,3-diene);rhodium;perchlorate.
What is the SMILES notation for bis(bicyclo[2.2.1]hepta-1,3-diene);rhodium;perchlorate?
The canonical SMILES for bis(bicyclo[2.2.1]hepta-1,3-diene);rhodium;perchlorate is C1=C2CCC(=C1)C2.C1=C2CCC(=C1)C2.[O-][Cl+3]([O-])([O-])[O-].[Rh].
What is the InChIKey of bis(bicyclo[2.2.1]hepta-1,3-diene);rhodium;perchlorate?
The InChIKey is XSQXRHPNRBMVFU-UHFFFAOYSA-M. The full InChI is InChI=1S/2C7H8.ClHO4.Rh/c2*1-2-7-4-3-6(1)5-7;2-1(3,4)5;/h2*1-2H,3-5H2;(H,2,3,4,5);/p-1.
What are the key properties of bis(bicyclo[2.2.1]hepta-1,3-diene);rhodium;perchlorate?
bis(bicyclo[2.2.1]hepta-1,3-diene);rhodium;perchlorate has a molecular weight of 386.64 g/mol, XLogP of -0.69, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(bicyclo[2.2.1]hepta-1,3-diene);rhodium;perchlorate is sourced from PubChem (CID 158798211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).