CID 58289256

C8H16B2 — CID 58289256

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/b8-7-
InChIKeyDOFNZZMNUIFKPU-FPLPWBNLSA-N
MW133.84 g/mol
LogP2.52
Rot. Bonds4

About CID 58289256

CID 58289256 (PubChem CID 58289256) has the molecular formula C8H16B2 and a molecular weight of 133.84 g/mol.

Molecular Properties

Compound NameCID 58289256
PubChem CID58289256
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/b8-7-
InChIKeyDOFNZZMNUIFKPU-FPLPWBNLSA-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 58289256?
The IUPAC name of CID 58289256 (CID 58289256) is not available.
What is the SMILES notation for CID 58289256?
The canonical SMILES for CID 58289256 is C[B]/C(CC)=C(\[B]C)CC.
What is the InChIKey of CID 58289256?
The InChIKey is DOFNZZMNUIFKPU-FPLPWBNLSA-N. The full InChI is InChI=1S/C8H16B2/c1-5-7(9-3)8(6-2)10-4/h5-6H2,1-4H3/b8-7-.
What are the key properties of CID 58289256?
CID 58289256 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 58289256 is sourced from PubChem (CID 58289256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).