CID 11103428

C19H36BIrO2P — CID 11103428

IUPAC—
SMILESCC1(C)O[B]OC1(C)C.CP(C)C.C[C]1[C](C)[C](C)[C](C)[C]1C.[Ir]
InChIInChI=1S/C10H15.C6H12BO2.C3H9P.Ir/c1-6-7(2)9(4)10(5)8(6)3;1-5(2)6(3,4)9-7-8-5;1-4(2)3;/h1-5H3;1-4H3;1-3H3;
InChIKeyQYYZHBXBYVIJOX-UHFFFAOYSA-N
MW530.50 g/mol
LogP5.45
Rot. Bonds

About CID 11103428

CID 11103428 (PubChem CID 11103428) has the molecular formula C19H36BIrO2P and a molecular weight of 530.50 g/mol.

Molecular Properties

Compound NameCID 11103428
PubChem CID11103428
Molecular FormulaC19H36BIrO2P
Molecular Weight530.50 g/mol
Exact Mass531.22
IUPAC Name—
SMILESCC1(C)O[B]OC1(C)C.CP(C)C.C[C]1[C](C)[C](C)[C](C)[C]1C.[Ir]
InChIInChI=1S/C10H15.C6H12BO2.C3H9P.Ir/c1-6-7(2)9(4)10(5)8(6)3;1-5(2)6(3,4)9-7-8-5;1-4(2)3;/h1-5H3;1-4H3;1-3H3;
InChIKeyQYYZHBXBYVIJOX-UHFFFAOYSA-N
XLogP5.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.50
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 11103428?
The IUPAC name of CID 11103428 (CID 11103428) is not available.
What is the SMILES notation for CID 11103428?
The canonical SMILES for CID 11103428 is CC1(C)O[B]OC1(C)C.CP(C)C.C[C]1[C](C)[C](C)[C](C)[C]1C.[Ir].
What is the InChIKey of CID 11103428?
The InChIKey is QYYZHBXBYVIJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15.C6H12BO2.C3H9P.Ir/c1-6-7(2)9(4)10(5)8(6)3;1-5(2)6(3,4)9-7-8-5;1-4(2)3;/h1-5H3;1-4H3;1-3H3;.
What are the key properties of CID 11103428?
CID 11103428 has a molecular weight of 530.50 g/mol, XLogP of 5.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11103428 is sourced from PubChem (CID 11103428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).