CID 165087656

C8H9B4 — CID 165087656

IUPAC—
SMILES[B][B]B([B])c1cccc(C)c1C
InChIInChI=1S/C8H9B4/c1-6-4-3-5-8(7(6)2)12(10)11-9/h3-5H,1-2H3
InChIKeyDTMOMYQCOCQZEM-UHFFFAOYSA-N
MW148.41 g/mol
LogP-0.05
Rot. Bonds2

About CID 165087656

CID 165087656 (PubChem CID 165087656) has the molecular formula C8H9B4 and a molecular weight of 148.41 g/mol.

Molecular Properties

Compound NameCID 165087656
PubChem CID165087656
Molecular FormulaC8H9B4
Molecular Weight148.41 g/mol
Exact Mass149.11
IUPAC Name—
SMILES[B][B]B([B])c1cccc(C)c1C
InChIInChI=1S/C8H9B4/c1-6-4-3-5-8(7(6)2)12(10)11-9/h3-5H,1-2H3
InChIKeyDTMOMYQCOCQZEM-UHFFFAOYSA-N
XLogP-0.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.41
LogP ≤ 5-0.05
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 165087656?
The IUPAC name of CID 165087656 (CID 165087656) is not available.
What is the SMILES notation for CID 165087656?
The canonical SMILES for CID 165087656 is [B][B]B([B])c1cccc(C)c1C.
What is the InChIKey of CID 165087656?
The InChIKey is DTMOMYQCOCQZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9B4/c1-6-4-3-5-8(7(6)2)12(10)11-9/h3-5H,1-2H3.
What are the key properties of CID 165087656?
CID 165087656 has a molecular weight of 148.41 g/mol, XLogP of -0.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 165087656 is sourced from PubChem (CID 165087656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).