CID 10905082

C12H15IrO2 — CID 10905082

IUPAC—
SMILESC[C]1C(C)=C(C)C(C)=C1C.[C-]#[O+].[C-]#[O+].[Ir]
InChIInChI=1S/C10H15.2CO.Ir/c1-6-7(2)9(4)10(5)8(6)3;2*1-2;/h1-5H3;;;
InChIKeyGRJAVGNTHXHBME-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.19
Rot. Bonds

About CID 10905082

CID 10905082 (PubChem CID 10905082) has the molecular formula C12H15IrO2 and a molecular weight of 383.47 g/mol.

Molecular Properties

Compound NameCID 10905082
PubChem CID10905082
Molecular FormulaC12H15IrO2
Molecular Weight383.47 g/mol
Exact Mass384.07
IUPAC Name—
SMILESC[C]1C(C)=C(C)C(C)=C1C.[C-]#[O+].[C-]#[O+].[Ir]
InChIInChI=1S/C10H15.2CO.Ir/c1-6-7(2)9(4)10(5)8(6)3;2*1-2;/h1-5H3;;;
InChIKeyGRJAVGNTHXHBME-UHFFFAOYSA-N
XLogP3.19
TPSA39.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 10905082?
The IUPAC name of CID 10905082 (CID 10905082) is not available.
What is the SMILES notation for CID 10905082?
The canonical SMILES for CID 10905082 is C[C]1C(C)=C(C)C(C)=C1C.[C-]#[O+].[C-]#[O+].[Ir].
What is the InChIKey of CID 10905082?
The InChIKey is GRJAVGNTHXHBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15.2CO.Ir/c1-6-7(2)9(4)10(5)8(6)3;2*1-2;/h1-5H3;;;.
What are the key properties of CID 10905082?
CID 10905082 has a molecular weight of 383.47 g/mol, XLogP of 3.19, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10905082 is sourced from PubChem (CID 10905082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).