CID 20615486

C20H21B- — CID 20615486

IUPAC—
SMILESCCCC[B-](c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C20H21B/c1-2-3-16-21(18-12-5-4-6-13-18)20-15-9-11-17-10-7-8-14-19(17)20/h4-15H,2-3,16H2,1H3/q-1
InChIKeyJIOCCAWGGZDUTD-UHFFFAOYSA-N
MW272.20 g/mol
LogP4.25
Rot. Bonds5

About CID 20615486

CID 20615486 (PubChem CID 20615486) has the molecular formula C20H21B- and a molecular weight of 272.20 g/mol.

Molecular Properties

Compound NameCID 20615486
PubChem CID20615486
Molecular FormulaC20H21B-
Molecular Weight272.20 g/mol
Exact Mass272.17
IUPAC Name—
SMILESCCCC[B-](c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C20H21B/c1-2-3-16-21(18-12-5-4-6-13-18)20-15-9-11-17-10-7-8-14-19(17)20/h4-15H,2-3,16H2,1H3/q-1
InChIKeyJIOCCAWGGZDUTD-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.20
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 20615486?
The IUPAC name of CID 20615486 (CID 20615486) is not available.
What is the SMILES notation for CID 20615486?
The canonical SMILES for CID 20615486 is CCCC[B-](c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of CID 20615486?
The InChIKey is JIOCCAWGGZDUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21B/c1-2-3-16-21(18-12-5-4-6-13-18)20-15-9-11-17-10-7-8-14-19(17)20/h4-15H,2-3,16H2,1H3/q-1.
What are the key properties of CID 20615486?
CID 20615486 has a molecular weight of 272.20 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20615486 is sourced from PubChem (CID 20615486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).