formaldehyde;iridium;1,2,3,5,5-pentamethylcyclopenta-1,3-diene

C12H19IrO2- — CID 87482489

IUPACformaldehyde;iridium;1,2,3,5,5-pentamethylcyclopenta-1,3-diene
SMILESC=O.C=O.CC1=[C-]C(C)(C)C(C)=C1C.[Ir]
InChIInChI=1S/C10H15.2CH2O.Ir/c1-7-6-10(4,5)9(3)8(7)2;2*1-2;/h1-5H3;2*1H2;/q-1;;;
InChIKeyKMCIKAICPFMKAR-UHFFFAOYSA-N
MW387.50 g/mol
LogP2.74
Rot. Bonds

About formaldehyde;iridium;1,2,3,5,5-pentamethylcyclopenta-1,3-diene

formaldehyde;iridium;1,2,3,5,5-pentamethylcyclopenta-1,3-diene (PubChem CID 87482489) has the molecular formula C12H19IrO2- and a molecular weight of 387.50 g/mol. Its IUPAC name is formaldehyde;iridium;1,2,3,5,5-pentamethylcyclopenta-1,3-diene.

Molecular Properties

Compound Nameformaldehyde;iridium;1,2,3,5,5-pentamethylcyclopenta-1,3-diene
PubChem CID87482489
Molecular FormulaC12H19IrO2-
Molecular Weight387.50 g/mol
Exact Mass388.10
IUPAC Nameformaldehyde;iridium;1,2,3,5,5-pentamethylcyclopenta-1,3-diene
SMILESC=O.C=O.CC1=[C-]C(C)(C)C(C)=C1C.[Ir]
InChIInChI=1S/C10H15.2CH2O.Ir/c1-7-6-10(4,5)9(3)8(7)2;2*1-2;/h1-5H3;2*1H2;/q-1;;;
InChIKeyKMCIKAICPFMKAR-UHFFFAOYSA-N
XLogP2.74
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 formaldehyde;iridium;1,2,3,5,5-pentamethylcyclopenta-1,3-diene?
The IUPAC name of formaldehyde;iridium;1,2,3,5,5-pentamethylcyclopenta-1,3-diene (CID 87482489) is formaldehyde;iridium;1,2,3,5,5-pentamethylcyclopenta-1,3-diene.
What is the SMILES notation for formaldehyde;iridium;1,2,3,5,5-pentamethylcyclopenta-1,3-diene?
The canonical SMILES for formaldehyde;iridium;1,2,3,5,5-pentamethylcyclopenta-1,3-diene is C=O.C=O.CC1=[C-]C(C)(C)C(C)=C1C.[Ir].
What is the InChIKey of formaldehyde;iridium;1,2,3,5,5-pentamethylcyclopenta-1,3-diene?
The InChIKey is KMCIKAICPFMKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15.2CH2O.Ir/c1-7-6-10(4,5)9(3)8(7)2;2*1-2;/h1-5H3;2*1H2;/q-1;;;.
What are the key properties of formaldehyde;iridium;1,2,3,5,5-pentamethylcyclopenta-1,3-diene?
formaldehyde;iridium;1,2,3,5,5-pentamethylcyclopenta-1,3-diene has a molecular weight of 387.50 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;iridium;1,2,3,5,5-pentamethylcyclopenta-1,3-diene is sourced from PubChem (CID 87482489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).