CID 135046725

C10H18B2Zr — CID 135046725

IUPAC—
SMILES[BH4-].[BH4-].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+2]
InChIInChI=1S/2C5H5.2BH4.Zr/c2*1-2-4-5-3-1;;;/h2*1-5H;2*1H4;/q;;2*-1;+2
InChIKeyWEWHHERYAOMVFU-UHFFFAOYSA-N
MW251.10 g/mol
LogP-0.86
Rot. Bonds

About CID 135046725

CID 135046725 (PubChem CID 135046725) has the molecular formula C10H18B2Zr and a molecular weight of 251.10 g/mol.

Molecular Properties

Compound NameCID 135046725
PubChem CID135046725
Molecular FormulaC10H18B2Zr
Molecular Weight251.10 g/mol
Exact Mass250.06
IUPAC Name—
SMILES[BH4-].[BH4-].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+2]
InChIInChI=1S/2C5H5.2BH4.Zr/c2*1-2-4-5-3-1;;;/h2*1-5H;2*1H4;/q;;2*-1;+2
InChIKeyWEWHHERYAOMVFU-UHFFFAOYSA-N
XLogP-0.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.10
LogP ≤ 5-0.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Tris(cyclopentadienyl)gadolinium(III), 99.9% trace metals basis
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CID 134905932
CID 134905932
CID 135082865
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CID 11959114
CID 11959114
CID 10106540
CID 10106540
CID 135046700
CID 135046700
CID 11078201
CID 11078201
CID 10948797
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CID 134991141
CID 134991141
Praseodymium,tris(h5-2,4-cyclopentadien-1-yl)-
CID 118856173

Frequently Asked Questions

What is the IUPAC name of CID 135046725?
The IUPAC name of CID 135046725 (CID 135046725) is not available.
What is the SMILES notation for CID 135046725?
The canonical SMILES for CID 135046725 is [BH4-].[BH4-].[CH]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Zr+2].
What is the InChIKey of CID 135046725?
The InChIKey is WEWHHERYAOMVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5.2BH4.Zr/c2*1-2-4-5-3-1;;;/h2*1-5H;2*1H4;/q;;2*-1;+2.
What are the key properties of CID 135046725?
CID 135046725 has a molecular weight of 251.10 g/mol, XLogP of -0.86, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135046725 is sourced from PubChem (CID 135046725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).