CID 134899646

C17H25IrO — CID 134899646

IUPAC—
SMILESCOC1=CC=CCC1.C[C]1C(C)=C(C)C(C)=C1C.[Ir]
InChIInChI=1S/C10H15.C7H10O.Ir/c1-6-7(2)9(4)10(5)8(6)3;1-8-7-5-3-2-4-6-7;/h1-5H3;2-3,5H,4,6H2,1H3;
InChIKeyLHKAGPLEDKWSAB-UHFFFAOYSA-N
MW437.60 g/mol
LogP5.13
Rot. Bonds1

About CID 134899646

CID 134899646 (PubChem CID 134899646) has the molecular formula C17H25IrO and a molecular weight of 437.60 g/mol.

Molecular Properties

Compound NameCID 134899646
PubChem CID134899646
Molecular FormulaC17H25IrO
Molecular Weight437.60 g/mol
Exact Mass438.15
IUPAC Name—
SMILESCOC1=CC=CCC1.C[C]1C(C)=C(C)C(C)=C1C.[Ir]
InChIInChI=1S/C10H15.C7H10O.Ir/c1-6-7(2)9(4)10(5)8(6)3;1-8-7-5-3-2-4-6-7;/h1-5H3;2-3,5H,4,6H2,1H3;
InChIKeyLHKAGPLEDKWSAB-UHFFFAOYSA-N
XLogP5.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.60
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of CID 134899646?
The IUPAC name of CID 134899646 (CID 134899646) is not available.
What is the SMILES notation for CID 134899646?
The canonical SMILES for CID 134899646 is COC1=CC=CCC1.C[C]1C(C)=C(C)C(C)=C1C.[Ir].
What is the InChIKey of CID 134899646?
The InChIKey is LHKAGPLEDKWSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15.C7H10O.Ir/c1-6-7(2)9(4)10(5)8(6)3;1-8-7-5-3-2-4-6-7;/h1-5H3;2-3,5H,4,6H2,1H3;.
What are the key properties of CID 134899646?
CID 134899646 has a molecular weight of 437.60 g/mol, XLogP of 5.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134899646 is sourced from PubChem (CID 134899646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).