CID 134899772

C20H34Ir2O2 — CID 134899772

IUPAC—
SMILESC[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.O.O.[Ir].[Ir]
InChIInChI=1S/2C10H15.2Ir.2H2O/c2*1-6-7(2)9(4)10(5)8(6)3;;;;/h2*1-5H3;;;2*1H2
InChIKeyBHZUYAMZXWDXON-UHFFFAOYSA-N
MW690.92 g/mol
LogP4.29
Rot. Bonds

About CID 134899772

CID 134899772 (PubChem CID 134899772) has the molecular formula C20H34Ir2O2 and a molecular weight of 690.92 g/mol.

Molecular Properties

Compound NameCID 134899772
PubChem CID134899772
Molecular FormulaC20H34Ir2O2
Molecular Weight690.92 g/mol
Exact Mass692.18
IUPAC Name—
SMILESC[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.O.O.[Ir].[Ir]
InChIInChI=1S/2C10H15.2Ir.2H2O/c2*1-6-7(2)9(4)10(5)8(6)3;;;;/h2*1-5H3;;;2*1H2
InChIKeyBHZUYAMZXWDXON-UHFFFAOYSA-N
XLogP4.29
TPSA63.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500690.92
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 134899772?
The IUPAC name of CID 134899772 (CID 134899772) is not available.
What is the SMILES notation for CID 134899772?
The canonical SMILES for CID 134899772 is C[C]1[C](C)[C](C)[C](C)[C]1C.C[C]1[C](C)[C](C)[C](C)[C]1C.O.O.[Ir].[Ir].
What is the InChIKey of CID 134899772?
The InChIKey is BHZUYAMZXWDXON-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H15.2Ir.2H2O/c2*1-6-7(2)9(4)10(5)8(6)3;;;;/h2*1-5H3;;;2*1H2.
What are the key properties of CID 134899772?
CID 134899772 has a molecular weight of 690.92 g/mol, XLogP of 4.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134899772 is sourced from PubChem (CID 134899772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).