CID 76742319

C8H16B2 — CID 76742319

IUPAC—
SMILESC[B]C(CC)=C([B]C)CC
InChIInChI=1S/C8H16B2/c1-5-7(9-3)8(6-2)10-4/h5-6H2,1-4H3
InChIKeyDOFNZZMNUIFKPU-UHFFFAOYSA-N
MW133.84 g/mol
LogP2.52
Rot. Bonds4

About CID 76742319

CID 76742319 (PubChem CID 76742319) has the molecular formula C8H16B2 and a molecular weight of 133.84 g/mol.

Molecular Properties

Compound NameCID 76742319
PubChem CID76742319
Molecular FormulaC8H16B2
Molecular Weight133.84 g/mol
Exact Mass134.14
IUPAC Name—
SMILESC[B]C(CC)=C([B]C)CC
InChIInChI=1S/C8H16B2/c1-5-7(9-3)8(6-2)10-4/h5-6H2,1-4H3
InChIKeyDOFNZZMNUIFKPU-UHFFFAOYSA-N
XLogP2.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.84
LogP ≤ 52.52
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 76742319?
The IUPAC name of CID 76742319 (CID 76742319) is not available.
What is the SMILES notation for CID 76742319?
The canonical SMILES for CID 76742319 is C[B]C(CC)=C([B]C)CC.
What is the InChIKey of CID 76742319?
The InChIKey is DOFNZZMNUIFKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16B2/c1-5-7(9-3)8(6-2)10-4/h5-6H2,1-4H3.
What are the key properties of CID 76742319?
CID 76742319 has a molecular weight of 133.84 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 76742319 is sourced from PubChem (CID 76742319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).