bis(dichlororhodium(1+));bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene)

C20H30Cl4Rh2 — CID 71310421

IUPACbis(dichlororhodium(1+));bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene)
SMILESCc1c(C)c(C)[c-](C)c1C.Cc1c(C)c(C)[c-](C)c1C.Cl[Rh+]Cl.Cl[Rh+]Cl
InChIInChI=1S/2C10H15.4ClH.2Rh/c2*1-6-7(2)9(4)10(5)8(6)3;;;;;;/h2*1-5H3;4*1H;;/q2*-1;;;;;2*+3/p-4
InChIKeyAUBQNRPCZLEJIZ-UHFFFAOYSA-J
MW618.08 g/mol
LogP8.65
Rot. Bonds

About bis(dichlororhodium(1+));bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene)

bis(dichlororhodium(1+));bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene) (PubChem CID 71310421) has the molecular formula C20H30Cl4Rh2 and a molecular weight of 618.08 g/mol. Its IUPAC name is bis(dichlororhodium(1+));bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene).

Molecular Properties

Compound Namebis(dichlororhodium(1+));bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene)
PubChem CID71310421
Molecular FormulaC20H30Cl4Rh2
Molecular Weight618.08 g/mol
Exact Mass615.92
IUPAC Namebis(dichlororhodium(1+));bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene)
SMILESCc1c(C)c(C)[c-](C)c1C.Cc1c(C)c(C)[c-](C)c1C.Cl[Rh+]Cl.Cl[Rh+]Cl
InChIInChI=1S/2C10H15.4ClH.2Rh/c2*1-6-7(2)9(4)10(5)8(6)3;;;;;;/h2*1-5H3;4*1H;;/q2*-1;;;;;2*+3/p-4
InChIKeyAUBQNRPCZLEJIZ-UHFFFAOYSA-J
XLogP8.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.08
LogP ≤ 58.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(dichlororhodium(1+));bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene)?
The IUPAC name of bis(dichlororhodium(1+));bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene) (CID 71310421) is bis(dichlororhodium(1+));bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene).
What is the SMILES notation for bis(dichlororhodium(1+));bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene)?
The canonical SMILES for bis(dichlororhodium(1+));bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene) is Cc1c(C)c(C)[c-](C)c1C.Cc1c(C)c(C)[c-](C)c1C.Cl[Rh+]Cl.Cl[Rh+]Cl.
What is the InChIKey of bis(dichlororhodium(1+));bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene)?
The InChIKey is AUBQNRPCZLEJIZ-UHFFFAOYSA-J. The full InChI is InChI=1S/2C10H15.4ClH.2Rh/c2*1-6-7(2)9(4)10(5)8(6)3;;;;;;/h2*1-5H3;4*1H;;/q2*-1;;;;;2*+3/p-4.
What are the key properties of bis(dichlororhodium(1+));bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene)?
bis(dichlororhodium(1+));bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene) has a molecular weight of 618.08 g/mol, XLogP of 8.65, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dichlororhodium(1+));bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene) is sourced from PubChem (CID 71310421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).