CID 19889919

C5H11BO — CID 19889919

IUPAC—
SMILES[B]OC(CC)CC
InChIInChI=1S/C5H11BO/c1-3-5(4-2)7-6/h5H,3-4H2,1-2H3
InChIKeyWACIYMCLLJFTLX-UHFFFAOYSA-N
MW97.95 g/mol
LogP1.28
Rot. Bonds3

About CID 19889919

CID 19889919 (PubChem CID 19889919) has the molecular formula C5H11BO and a molecular weight of 97.95 g/mol.

Molecular Properties

Compound NameCID 19889919
PubChem CID19889919
Molecular FormulaC5H11BO
Molecular Weight97.95 g/mol
Exact Mass98.09
IUPAC Name—
SMILES[B]OC(CC)CC
InChIInChI=1S/C5H11BO/c1-3-5(4-2)7-6/h5H,3-4H2,1-2H3
InChIKeyWACIYMCLLJFTLX-UHFFFAOYSA-N
XLogP1.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.95
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze CID 19889919 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 19889919?
The IUPAC name of CID 19889919 (CID 19889919) is not available.
What is the SMILES notation for CID 19889919?
The canonical SMILES for CID 19889919 is [B]OC(CC)CC.
What is the InChIKey of CID 19889919?
The InChIKey is WACIYMCLLJFTLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11BO/c1-3-5(4-2)7-6/h5H,3-4H2,1-2H3.
What are the key properties of CID 19889919?
CID 19889919 has a molecular weight of 97.95 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 19889919 is sourced from PubChem (CID 19889919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).