CID 134888611

C16H33IrP- — CID 134888611

IUPAC—
SMILESCC(C)[PH+](C(C)C)C(C)C.[CH3-].[CH3-].[CH]1C=CC=C1.[Ir]
InChIInChI=1S/C9H21P.C5H5.2CH3.Ir/c1-7(2)10(8(3)4)9(5)6;1-2-4-5-3-1;;;/h7-9H,1-6H3;1-5H;2*1H3;/q;;2*-1;/p+1
InChIKeyIJSAVMOISXXWCM-UHFFFAOYSA-O
MW448.63 g/mol
LogP5.64
Rot. Bonds3

About CID 134888611

CID 134888611 (PubChem CID 134888611) has the molecular formula C16H33IrP- and a molecular weight of 448.63 g/mol.

Molecular Properties

Compound NameCID 134888611
PubChem CID134888611
Molecular FormulaC16H33IrP-
Molecular Weight448.63 g/mol
Exact Mass449.20
IUPAC Name—
SMILESCC(C)[PH+](C(C)C)C(C)C.[CH3-].[CH3-].[CH]1C=CC=C1.[Ir]
InChIInChI=1S/C9H21P.C5H5.2CH3.Ir/c1-7(2)10(8(3)4)9(5)6;1-2-4-5-3-1;;;/h7-9H,1-6H3;1-5H;2*1H3;/q;;2*-1;/p+1
InChIKeyIJSAVMOISXXWCM-UHFFFAOYSA-O
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.63
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 134888611?
The IUPAC name of CID 134888611 (CID 134888611) is not available.
What is the SMILES notation for CID 134888611?
The canonical SMILES for CID 134888611 is CC(C)[PH+](C(C)C)C(C)C.[CH3-].[CH3-].[CH]1C=CC=C1.[Ir].
What is the InChIKey of CID 134888611?
The InChIKey is IJSAVMOISXXWCM-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H21P.C5H5.2CH3.Ir/c1-7(2)10(8(3)4)9(5)6;1-2-4-5-3-1;;;/h7-9H,1-6H3;1-5H;2*1H3;/q;;2*-1;/p+1.
What are the key properties of CID 134888611?
CID 134888611 has a molecular weight of 448.63 g/mol, XLogP of 5.64, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134888611 is sourced from PubChem (CID 134888611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).