CID 178186067

BCaO — CID 178186067

IUPAC—
SMILES[B].[Ca].[O]
InChIInChI=1S/B.Ca.O
InChIKeyJLEFGHWMBIFWDP-UHFFFAOYSA-N
MW66.89 g/mol
LogP-0.88
Rot. Bonds

About CID 178186067

CID 178186067 (PubChem CID 178186067) has the molecular formula BCaO and a molecular weight of 66.89 g/mol.

Molecular Properties

Compound NameCID 178186067
PubChem CID178186067
Molecular FormulaBCaO
Molecular Weight66.89 g/mol
Exact Mass66.97
IUPAC Name—
SMILES[B].[Ca].[O]
InChIInChI=1S/B.Ca.O
InChIKeyJLEFGHWMBIFWDP-UHFFFAOYSA-N
XLogP-0.88
TPSA28.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50066.89
LogP ≤ 5-0.88
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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sulfane;hexahydrofluoride
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platinum;sulfane
CID 173441848
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calcium;tungsten
CID 172731200
boron;tellurium
CID 175840865

Frequently Asked Questions

What is the IUPAC name of CID 178186067?
The IUPAC name of CID 178186067 (CID 178186067) is not available.
What is the SMILES notation for CID 178186067?
The canonical SMILES for CID 178186067 is [B].[Ca].[O].
What is the InChIKey of CID 178186067?
The InChIKey is JLEFGHWMBIFWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/B.Ca.O.
What are the key properties of CID 178186067?
CID 178186067 has a molecular weight of 66.89 g/mol, XLogP of -0.88, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 178186067 is sourced from PubChem (CID 178186067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).