CID 161142397

C4H9BNa — CID 161142397

IUPAC—
SMILESC[CH-]CC.[B].[Na+]
InChIInChI=1S/C4H9.B.Na/c1-3-4-2;;/h3H,4H2,1-2H3;;/q-1;;+1
InChIKeyQDTIEIRQDVJSOE-UHFFFAOYSA-N
MW90.92 g/mol
LogP-1.76
Rot. Bonds1

About CID 161142397

CID 161142397 (PubChem CID 161142397) has the molecular formula C4H9BNa and a molecular weight of 90.92 g/mol.

Molecular Properties

Compound NameCID 161142397
PubChem CID161142397
Molecular FormulaC4H9BNa
Molecular Weight90.92 g/mol
Exact Mass91.07
IUPAC Name—
SMILESC[CH-]CC.[B].[Na+]
InChIInChI=1S/C4H9.B.Na/c1-3-4-2;;/h3H,4H2,1-2H3;;/q-1;;+1
InChIKeyQDTIEIRQDVJSOE-UHFFFAOYSA-N
XLogP-1.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.92
LogP ≤ 5-1.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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 161142397?
The IUPAC name of CID 161142397 (CID 161142397) is not available.
What is the SMILES notation for CID 161142397?
The canonical SMILES for CID 161142397 is C[CH-]CC.[B].[Na+].
What is the InChIKey of CID 161142397?
The InChIKey is QDTIEIRQDVJSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9.B.Na/c1-3-4-2;;/h3H,4H2,1-2H3;;/q-1;;+1.
What are the key properties of CID 161142397?
CID 161142397 has a molecular weight of 90.92 g/mol, XLogP of -1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161142397 is sourced from PubChem (CID 161142397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).