(1Z,3Z)-1,5-dimethylcycloocta-1,3-diene;iridium;2-methylcyclopenta-1,3-diene

C16H23Ir- — CID 173143021

IUPAC(1Z,3Z)-1,5-dimethylcycloocta-1,3-diene;iridium;2-methylcyclopenta-1,3-diene
SMILESC/C1=C/C=C\C(C)CCC1.CC1=[C-]CC=C1.[Ir]
InChIInChI=1S/C10H16.C6H7.Ir/c1-9-5-3-7-10(2)8-4-6-9;1-6-4-2-3-5-6;/h3,5,7,9H,4,6,8H2,1-2H3;2,4H,3H2,1H3;/q;-1;/b5-3-,10-7-;;
InChIKeyKXDDLGYRQFBUAU-LKQDOCJISA-N
MW407.58 g/mol
LogP5.00
Rot. Bonds

About (1Z,3Z)-1,5-dimethylcycloocta-1,3-diene;iridium;2-methylcyclopenta-1,3-diene

(1Z,3Z)-1,5-dimethylcycloocta-1,3-diene;iridium;2-methylcyclopenta-1,3-diene (PubChem CID 173143021) has the molecular formula C16H23Ir- and a molecular weight of 407.58 g/mol. Its IUPAC name is (1Z,3Z)-1,5-dimethylcycloocta-1,3-diene;iridium;2-methylcyclopenta-1,3-diene.

Molecular Properties

Compound Name(1Z,3Z)-1,5-dimethylcycloocta-1,3-diene;iridium;2-methylcyclopenta-1,3-diene
PubChem CID173143021
Molecular FormulaC16H23Ir-
Molecular Weight407.58 g/mol
Exact Mass408.14
IUPAC Name(1Z,3Z)-1,5-dimethylcycloocta-1,3-diene;iridium;2-methylcyclopenta-1,3-diene
SMILESC/C1=C/C=C\C(C)CCC1.CC1=[C-]CC=C1.[Ir]
InChIInChI=1S/C10H16.C6H7.Ir/c1-9-5-3-7-10(2)8-4-6-9;1-6-4-2-3-5-6;/h3,5,7,9H,4,6,8H2,1-2H3;2,4H,3H2,1H3;/q;-1;/b5-3-,10-7-;;
InChIKeyKXDDLGYRQFBUAU-LKQDOCJISA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.58
LogP ≤ 55.00
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 (1Z,3Z)-1,5-dimethylcycloocta-1,3-diene;iridium;2-methylcyclopenta-1,3-diene?
The IUPAC name of (1Z,3Z)-1,5-dimethylcycloocta-1,3-diene;iridium;2-methylcyclopenta-1,3-diene (CID 173143021) is (1Z,3Z)-1,5-dimethylcycloocta-1,3-diene;iridium;2-methylcyclopenta-1,3-diene.
What is the SMILES notation for (1Z,3Z)-1,5-dimethylcycloocta-1,3-diene;iridium;2-methylcyclopenta-1,3-diene?
The canonical SMILES for (1Z,3Z)-1,5-dimethylcycloocta-1,3-diene;iridium;2-methylcyclopenta-1,3-diene is C/C1=C/C=C\C(C)CCC1.CC1=[C-]CC=C1.[Ir].
What is the InChIKey of (1Z,3Z)-1,5-dimethylcycloocta-1,3-diene;iridium;2-methylcyclopenta-1,3-diene?
The InChIKey is KXDDLGYRQFBUAU-LKQDOCJISA-N. The full InChI is InChI=1S/C10H16.C6H7.Ir/c1-9-5-3-7-10(2)8-4-6-9;1-6-4-2-3-5-6;/h3,5,7,9H,4,6,8H2,1-2H3;2,4H,3H2,1H3;/q;-1;/b5-3-,10-7-;;.
What are the key properties of (1Z,3Z)-1,5-dimethylcycloocta-1,3-diene;iridium;2-methylcyclopenta-1,3-diene?
(1Z,3Z)-1,5-dimethylcycloocta-1,3-diene;iridium;2-methylcyclopenta-1,3-diene has a molecular weight of 407.58 g/mol, XLogP of 5.00, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-1,5-dimethylcycloocta-1,3-diene;iridium;2-methylcyclopenta-1,3-diene is sourced from PubChem (CID 173143021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).