CID 134981580

C16H15Yb- — CID 134981580

IUPAC—
SMILES[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Yb].[c-]1ccccc1
InChIInChI=1S/C6H5.2C5H5.Yb/c1-2-4-6-5-3-1;2*1-2-4-5-3-1;/h1-5H;2*1-5H;/q-1;;;
InChIKeyJKKRFHCKAYZZSM-UHFFFAOYSA-N
MW380.34 g/mol
LogP3.53
Rot. Bonds

About CID 134981580

CID 134981580 (PubChem CID 134981580) has the molecular formula C16H15Yb- and a molecular weight of 380.34 g/mol.

Molecular Properties

Compound NameCID 134981580
PubChem CID134981580
Molecular FormulaC16H15Yb-
Molecular Weight380.34 g/mol
Exact Mass381.06
IUPAC Name—
SMILES[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Yb].[c-]1ccccc1
InChIInChI=1S/C6H5.2C5H5.Yb/c1-2-4-6-5-3-1;2*1-2-4-5-3-1;/h1-5H;2*1-5H;/q-1;;;
InChIKeyJKKRFHCKAYZZSM-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.34
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 134981580?
The IUPAC name of CID 134981580 (CID 134981580) is not available.
What is the SMILES notation for CID 134981580?
The canonical SMILES for CID 134981580 is [CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Yb].[c-]1ccccc1.
What is the InChIKey of CID 134981580?
The InChIKey is JKKRFHCKAYZZSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5.2C5H5.Yb/c1-2-4-6-5-3-1;2*1-2-4-5-3-1;/h1-5H;2*1-5H;/q-1;;;.
What are the key properties of CID 134981580?
CID 134981580 has a molecular weight of 380.34 g/mol, XLogP of 3.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134981580 is sourced from PubChem (CID 134981580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).