CID 158893844

C10H12B3 — CID 158893844

IUPAC—
SMILESCC.[B][B]C([B])=Cc1ccccc1
InChIInChI=1S/C8H6B3.C2H6/c9-8(11-10)6-7-4-2-1-3-5-7;1-2/h1-6H;1-2H3
InChIKeyMUAZISZPYJVUOW-UHFFFAOYSA-N
MW164.64 g/mol
LogP1.97
Rot. Bonds2

About CID 158893844

CID 158893844 (PubChem CID 158893844) has the molecular formula C10H12B3 and a molecular weight of 164.64 g/mol.

Molecular Properties

Compound NameCID 158893844
PubChem CID158893844
Molecular FormulaC10H12B3
Molecular Weight164.64 g/mol
Exact Mass165.12
IUPAC Name—
SMILESCC.[B][B]C([B])=Cc1ccccc1
InChIInChI=1S/C8H6B3.C2H6/c9-8(11-10)6-7-4-2-1-3-5-7;1-2/h1-6H;1-2H3
InChIKeyMUAZISZPYJVUOW-UHFFFAOYSA-N
XLogP1.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.64
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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carbon monoxide;iron;2-methylprop-1-enylbenzene
CID 10945570
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(E)-N,N-dimethyl-1-phenylprop-1-en-2-amine
CID 12573346
CID 172843956
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Frequently Asked Questions

What is the IUPAC name of CID 158893844?
The IUPAC name of CID 158893844 (CID 158893844) is not available.
What is the SMILES notation for CID 158893844?
The canonical SMILES for CID 158893844 is CC.[B][B]C([B])=Cc1ccccc1.
What is the InChIKey of CID 158893844?
The InChIKey is MUAZISZPYJVUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6B3.C2H6/c9-8(11-10)6-7-4-2-1-3-5-7;1-2/h1-6H;1-2H3.
What are the key properties of CID 158893844?
CID 158893844 has a molecular weight of 164.64 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158893844 is sourced from PubChem (CID 158893844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).