CID 23218668

C4H9BO — CID 23218668

IUPAC—
SMILES[B]CCCCO
InChIInChI=1S/C4H9BO/c5-3-1-2-4-6/h6H,1-4H2
InChIKeyRNNAOMBZJJOKNI-UHFFFAOYSA-N
MW83.93 g/mol
LogP0.35
Rot. Bonds3

About CID 23218668

CID 23218668 (PubChem CID 23218668) has the molecular formula C4H9BO and a molecular weight of 83.93 g/mol.

Molecular Properties

Compound NameCID 23218668
PubChem CID23218668
Molecular FormulaC4H9BO
Molecular Weight83.93 g/mol
Exact Mass84.07
IUPAC Name—
SMILES[B]CCCCO
InChIInChI=1S/C4H9BO/c5-3-1-2-4-6/h6H,1-4H2
InChIKeyRNNAOMBZJJOKNI-UHFFFAOYSA-N
XLogP0.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50083.93
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 23218668?
The IUPAC name of CID 23218668 (CID 23218668) is not available.
What is the SMILES notation for CID 23218668?
The canonical SMILES for CID 23218668 is [B]CCCCO.
What is the InChIKey of CID 23218668?
The InChIKey is RNNAOMBZJJOKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9BO/c5-3-1-2-4-6/h6H,1-4H2.
What are the key properties of CID 23218668?
CID 23218668 has a molecular weight of 83.93 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23218668 is sourced from PubChem (CID 23218668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).