CID 135046700

C22H26Yb2-2 — CID 135046700

IUPAC—
SMILES[CH3-].[CH3-].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Yb].[Yb]
InChIInChI=1S/4C5H5.2CH3.2Yb/c4*1-2-4-5-3-1;;;;/h4*1-5H;2*1H3;;/q;;;;2*-1;;
InChIKeyQVJXGTWMLFZHKQ-UHFFFAOYSA-N
MW636.53 g/mol
LogP4.99
Rot. Bonds

About CID 135046700

CID 135046700 (PubChem CID 135046700) has the molecular formula C22H26Yb2-2 and a molecular weight of 636.53 g/mol.

Molecular Properties

Compound NameCID 135046700
PubChem CID135046700
Molecular FormulaC22H26Yb2-2
Molecular Weight636.53 g/mol
Exact Mass638.08
IUPAC Name—
SMILES[CH3-].[CH3-].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Yb].[Yb]
InChIInChI=1S/4C5H5.2CH3.2Yb/c4*1-2-4-5-3-1;;;;/h4*1-5H;2*1H3;;/q;;;;2*-1;;
InChIKeyQVJXGTWMLFZHKQ-UHFFFAOYSA-N
XLogP4.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500636.53
LogP ≤ 54.99
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 135046700?
The IUPAC name of CID 135046700 (CID 135046700) is not available.
What is the SMILES notation for CID 135046700?
The canonical SMILES for CID 135046700 is [CH3-].[CH3-].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Yb].[Yb].
What is the InChIKey of CID 135046700?
The InChIKey is QVJXGTWMLFZHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C5H5.2CH3.2Yb/c4*1-2-4-5-3-1;;;;/h4*1-5H;2*1H3;;/q;;;;2*-1;;.
What are the key properties of CID 135046700?
CID 135046700 has a molecular weight of 636.53 g/mol, XLogP of 4.99, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135046700 is sourced from PubChem (CID 135046700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).