CID 59964373

C9H17BY2-2 — CID 59964373

IUPAC—
SMILESC[CH-]/C(C)=C(/C)[CH-]C.[B]C.[Y].[Y]
InChIInChI=1S/C8H14.CH3B.2Y/c1-5-7(3)8(4)6-2;1-2;;/h5-6H,1-4H3;1H3;;/q-2;;;/b8-7-;;;
InChIKeyAEAHEVXTIVBWET-IRYVOTIRSA-N
MW313.86 g/mol
LogP2.97
Rot. Bonds2

About CID 59964373

CID 59964373 (PubChem CID 59964373) has the molecular formula C9H17BY2-2 and a molecular weight of 313.86 g/mol.

Molecular Properties

Compound NameCID 59964373
PubChem CID59964373
Molecular FormulaC9H17BY2-2
Molecular Weight313.86 g/mol
Exact Mass313.96
IUPAC Name—
SMILESC[CH-]/C(C)=C(/C)[CH-]C.[B]C.[Y].[Y]
InChIInChI=1S/C8H14.CH3B.2Y/c1-5-7(3)8(4)6-2;1-2;;/h5-6H,1-4H3;1H3;;/q-2;;;/b8-7-;;;
InChIKeyAEAHEVXTIVBWET-IRYVOTIRSA-N
XLogP2.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.86
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 59964373?
The IUPAC name of CID 59964373 (CID 59964373) is not available.
What is the SMILES notation for CID 59964373?
The canonical SMILES for CID 59964373 is C[CH-]/C(C)=C(/C)[CH-]C.[B]C.[Y].[Y].
What is the InChIKey of CID 59964373?
The InChIKey is AEAHEVXTIVBWET-IRYVOTIRSA-N. The full InChI is InChI=1S/C8H14.CH3B.2Y/c1-5-7(3)8(4)6-2;1-2;;/h5-6H,1-4H3;1H3;;/q-2;;;/b8-7-;;;.
What are the key properties of CID 59964373?
CID 59964373 has a molecular weight of 313.86 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59964373 is sourced from PubChem (CID 59964373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).