iridium(3+);1,2,3,4,5-pentaethylcyclopenta-1,3-diene

C15H25Ir+2 — CID 175918734

IUPACiridium(3+);1,2,3,4,5-pentaethylcyclopenta-1,3-diene
SMILESCCc1c(CC)c(CC)[c-](CC)c1CC.[Ir+3]
InChIInChI=1S/C15H25.Ir/c1-6-11-12(7-2)14(9-4)15(10-5)13(11)8-3;/h6-10H2,1-5H3;/q-1;+3
InChIKeyKVPCIBMJCKHPAU-UHFFFAOYSA-N
MW397.58 g/mol
LogP4.22
Rot. Bonds5

About iridium(3+);1,2,3,4,5-pentaethylcyclopenta-1,3-diene

iridium(3+);1,2,3,4,5-pentaethylcyclopenta-1,3-diene (PubChem CID 175918734) has the molecular formula C15H25Ir+2 and a molecular weight of 397.58 g/mol. Its IUPAC name is iridium(3+);1,2,3,4,5-pentaethylcyclopenta-1,3-diene.

Molecular Properties

Compound Nameiridium(3+);1,2,3,4,5-pentaethylcyclopenta-1,3-diene
PubChem CID175918734
Molecular FormulaC15H25Ir+2
Molecular Weight397.58 g/mol
Exact Mass398.16
IUPAC Nameiridium(3+);1,2,3,4,5-pentaethylcyclopenta-1,3-diene
SMILESCCc1c(CC)c(CC)[c-](CC)c1CC.[Ir+3]
InChIInChI=1S/C15H25.Ir/c1-6-11-12(7-2)14(9-4)15(10-5)13(11)8-3;/h6-10H2,1-5H3;/q-1;+3
InChIKeyKVPCIBMJCKHPAU-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.58
LogP ≤ 54.22
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 iridium(3+);1,2,3,4,5-pentaethylcyclopenta-1,3-diene?
The IUPAC name of iridium(3+);1,2,3,4,5-pentaethylcyclopenta-1,3-diene (CID 175918734) is iridium(3+);1,2,3,4,5-pentaethylcyclopenta-1,3-diene.
What is the SMILES notation for iridium(3+);1,2,3,4,5-pentaethylcyclopenta-1,3-diene?
The canonical SMILES for iridium(3+);1,2,3,4,5-pentaethylcyclopenta-1,3-diene is CCc1c(CC)c(CC)[c-](CC)c1CC.[Ir+3].
What is the InChIKey of iridium(3+);1,2,3,4,5-pentaethylcyclopenta-1,3-diene?
The InChIKey is KVPCIBMJCKHPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25.Ir/c1-6-11-12(7-2)14(9-4)15(10-5)13(11)8-3;/h6-10H2,1-5H3;/q-1;+3.
What are the key properties of iridium(3+);1,2,3,4,5-pentaethylcyclopenta-1,3-diene?
iridium(3+);1,2,3,4,5-pentaethylcyclopenta-1,3-diene has a molecular weight of 397.58 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iridium(3+);1,2,3,4,5-pentaethylcyclopenta-1,3-diene is sourced from PubChem (CID 175918734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).