CID 162416294

C6H10BMn2O4-7 — CID 162416294

IUPAC—
SMILES[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH3-].[CH3-].[Mn]=[B-]=[Mn]
InChIInChI=1S/4CHO.2CH3.B.2Mn/c4*1-2;;;;;/h4*1H;2*1H3;;;/q7*-1;;
InChIKeyDQYNCZWTHIQUGM-UHFFFAOYSA-N
MW266.83 g/mol
LogP-0.58
Rot. Bonds

About CID 162416294

CID 162416294 (PubChem CID 162416294) has the molecular formula C6H10BMn2O4-7 and a molecular weight of 266.83 g/mol.

Molecular Properties

Compound NameCID 162416294
PubChem CID162416294
Molecular FormulaC6H10BMn2O4-7
Molecular Weight266.83 g/mol
Exact Mass266.95
IUPAC Name—
SMILES[CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH3-].[CH3-].[Mn]=[B-]=[Mn]
InChIInChI=1S/4CHO.2CH3.B.2Mn/c4*1-2;;;;;/h4*1H;2*1H3;;;/q7*-1;;
InChIKeyDQYNCZWTHIQUGM-UHFFFAOYSA-N
XLogP-0.58
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.83
LogP ≤ 5-0.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 162416294?
The IUPAC name of CID 162416294 (CID 162416294) is not available.
What is the SMILES notation for CID 162416294?
The canonical SMILES for CID 162416294 is [CH-]=O.[CH-]=O.[CH-]=O.[CH-]=O.[CH3-].[CH3-].[Mn]=[B-]=[Mn].
What is the InChIKey of CID 162416294?
The InChIKey is DQYNCZWTHIQUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/4CHO.2CH3.B.2Mn/c4*1-2;;;;;/h4*1H;2*1H3;;;/q7*-1;;.
What are the key properties of CID 162416294?
CID 162416294 has a molecular weight of 266.83 g/mol, XLogP of -0.58, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162416294 is sourced from PubChem (CID 162416294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).