CID 134888507

C16H30IrP — CID 134888507

IUPAC—
SMILESC=C.CC(C)P(C(C)C)C(C)C.[CH]1C=CC=C1.[Ir]
InChIInChI=1S/C9H21P.C5H5.C2H4.Ir/c1-7(2)10(8(3)4)9(5)6;1-2-4-5-3-1;1-2;/h7-9H,1-6H3;1-5H;1-2H2;
InChIKeyZVBLVKYBFBHFMG-UHFFFAOYSA-N
MW445.61 g/mol
LogP5.81
Rot. Bonds3

About CID 134888507

CID 134888507 (PubChem CID 134888507) has the molecular formula C16H30IrP and a molecular weight of 445.61 g/mol.

Molecular Properties

Compound NameCID 134888507
PubChem CID134888507
Molecular FormulaC16H30IrP
Molecular Weight445.61 g/mol
Exact Mass446.17
IUPAC Name—
SMILESC=C.CC(C)P(C(C)C)C(C)C.[CH]1C=CC=C1.[Ir]
InChIInChI=1S/C9H21P.C5H5.C2H4.Ir/c1-7(2)10(8(3)4)9(5)6;1-2-4-5-3-1;1-2;/h7-9H,1-6H3;1-5H;1-2H2;
InChIKeyZVBLVKYBFBHFMG-UHFFFAOYSA-N
XLogP5.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.61
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze CID 134888507 with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 134888507?
The IUPAC name of CID 134888507 (CID 134888507) is not available.
What is the SMILES notation for CID 134888507?
The canonical SMILES for CID 134888507 is C=C.CC(C)P(C(C)C)C(C)C.[CH]1C=CC=C1.[Ir].
What is the InChIKey of CID 134888507?
The InChIKey is ZVBLVKYBFBHFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21P.C5H5.C2H4.Ir/c1-7(2)10(8(3)4)9(5)6;1-2-4-5-3-1;1-2;/h7-9H,1-6H3;1-5H;1-2H2;.
What are the key properties of CID 134888507?
CID 134888507 has a molecular weight of 445.61 g/mol, XLogP of 5.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134888507 is sourced from PubChem (CID 134888507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).