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

C10H14Cl2Ir+3 — CID 160661090

IUPAC1-(dichloromethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene;iridium(3+)
SMILESCC1=C(C)C(C)C(C(Cl)Cl)=C1C.[Ir+3]
InChIInChI=1S/C10H14Cl2.Ir/c1-5-6(2)8(4)9(7(5)3)10(11)12;/h7,10H,1-4H3;/q;+3
InChIKeyRLRIUWXNVKDFFX-UHFFFAOYSA-N
MW397.35 g/mol
LogP4.09
Rot. Bonds1

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

1-(dichloromethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene;iridium(3+) (PubChem CID 160661090) has the molecular formula C10H14Cl2Ir+3 and a molecular weight of 397.35 g/mol. Its IUPAC name is 1-(dichloromethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene;iridium(3+).

Molecular Properties

Compound Name1-(dichloromethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene;iridium(3+)
PubChem CID160661090
Molecular FormulaC10H14Cl2Ir+3
Molecular Weight397.35 g/mol
Exact Mass397.01
IUPAC Name1-(dichloromethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene;iridium(3+)
SMILESCC1=C(C)C(C)C(C(Cl)Cl)=C1C.[Ir+3]
InChIInChI=1S/C10H14Cl2.Ir/c1-5-6(2)8(4)9(7(5)3)10(11)12;/h7,10H,1-4H3;/q;+3
InChIKeyRLRIUWXNVKDFFX-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.35
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(dichloromethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene;iridium(3+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-Chloroethyl)-1,2,3,4-tetramethylcyclopentadiene
CID 11019555
5-(Chloromethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene
CID 89352533
5-(Dichloromethyl)-1,2,3,4,5-pentamethylcyclopenta-1,3-diene
CID 101840867
5-Chloro-1-(dichloromethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene
CID 140389582
1,2,3,5-Tetramethyl-4-(trichloromethyl)cyclopenta-1,3-diene
CID 141049828
5-(1,2-Dichloroethyl)-1,2,3,4-tetramethylcyclopenta-1,3-diene
CID 141059334
1-(Dichloromethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene
CID 141062114
5-(1,4-Dichlorobutan-2-yl)-1,2,3,4-tetramethylcyclopenta-1,3-diene
CID 141149414
5-Chloro-1-(chloromethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene
CID 145791327
1-(Dichloromethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene;rhodium(3+)
CID 158589724
1-(Dichloromethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene;rhodium
CID 160604705
5-(Dichloromethyl)-1,2,3,4,5-pentamethylcyclopenta-1,3-diene;zirconium
CID 173806501

Frequently Asked Questions

What is the IUPAC name of 1-(dichloromethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene;iridium(3+)?
The IUPAC name of 1-(dichloromethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene;iridium(3+) (CID 160661090) is 1-(dichloromethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene;iridium(3+).
What is the SMILES notation for 1-(dichloromethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene;iridium(3+)?
The canonical SMILES for 1-(dichloromethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene;iridium(3+) is CC1=C(C)C(C)C(C(Cl)Cl)=C1C.[Ir+3].
What is the InChIKey of 1-(dichloromethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene;iridium(3+)?
The InChIKey is RLRIUWXNVKDFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2.Ir/c1-5-6(2)8(4)9(7(5)3)10(11)12;/h7,10H,1-4H3;/q;+3.
What are the key properties of 1-(dichloromethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene;iridium(3+)?
1-(dichloromethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene;iridium(3+) has a molecular weight of 397.35 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dichloromethyl)-2,3,4,5-tetramethylcyclopenta-1,3-diene;iridium(3+) is sourced from PubChem (CID 160661090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).