CID 134902895

C16H16KTb — CID 134902895

IUPAC—
SMILESC1=C/C=C\C=C/C=C\1.C1=C/C=C\C=C/C=C\1.[K].[Tb]
InChIInChI=1S/2C8H8.K.Tb/c2*1-2-4-6-8-7-5-3-1;;/h2*1-8H;;/b2*2-1-,3-1-,4-2-,5-3-,6-4-,7-5?,8-6?,8-7?;;
InChIKeyQOGDLYYESYPKEY-HSFJRFSNSA-N
MW406.33 g/mol
LogP4.07
Rot. Bonds

About CID 134902895

CID 134902895 (PubChem CID 134902895) has the molecular formula C16H16KTb and a molecular weight of 406.33 g/mol.

Molecular Properties

Compound NameCID 134902895
PubChem CID134902895
Molecular FormulaC16H16KTb
Molecular Weight406.33 g/mol
Exact Mass406.01
IUPAC Name—
SMILESC1=C/C=C\C=C/C=C\1.C1=C/C=C\C=C/C=C\1.[K].[Tb]
InChIInChI=1S/2C8H8.K.Tb/c2*1-2-4-6-8-7-5-3-1;;/h2*1-8H;;/b2*2-1-,3-1-,4-2-,5-3-,6-4-,7-5?,8-6?,8-7?;;
InChIKeyQOGDLYYESYPKEY-HSFJRFSNSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.33
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 134902895?
The IUPAC name of CID 134902895 (CID 134902895) is not available.
What is the SMILES notation for CID 134902895?
The canonical SMILES for CID 134902895 is C1=C/C=C\C=C/C=C\1.C1=C/C=C\C=C/C=C\1.[K].[Tb].
What is the InChIKey of CID 134902895?
The InChIKey is QOGDLYYESYPKEY-HSFJRFSNSA-N. The full InChI is InChI=1S/2C8H8.K.Tb/c2*1-2-4-6-8-7-5-3-1;;/h2*1-8H;;/b2*2-1-,3-1-,4-2-,5-3-,6-4-,7-5?,8-6?,8-7?;;.
What are the key properties of CID 134902895?
CID 134902895 has a molecular weight of 406.33 g/mol, XLogP of 4.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134902895 is sourced from PubChem (CID 134902895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).