CID 89266218

C6H9B3O — CID 89266218

IUPAC—
SMILES[B]C1C(C)OC[C@@H]([B])C1[B]
InChIInChI=1S/C6H9B3O/c1-3-5(8)6(9)4(7)2-10-3/h3-6H,2H2,1H3/t3?,4-,5?,6?/m1/s1
InChIKeyIFPBUNBEIUAQDF-FPPIULTPSA-N
MW129.57 g/mol
LogP0.28
Rot. Bonds

About CID 89266218

CID 89266218 (PubChem CID 89266218) has the molecular formula C6H9B3O and a molecular weight of 129.57 g/mol.

Molecular Properties

Compound NameCID 89266218
PubChem CID89266218
Molecular FormulaC6H9B3O
Molecular Weight129.57 g/mol
Exact Mass130.09
IUPAC Name—
SMILES[B]C1C(C)OC[C@@H]([B])C1[B]
InChIInChI=1S/C6H9B3O/c1-3-5(8)6(9)4(7)2-10-3/h3-6H,2H2,1H3/t3?,4-,5?,6?/m1/s1
InChIKeyIFPBUNBEIUAQDF-FPPIULTPSA-N
XLogP0.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.57
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 89266218?
The IUPAC name of CID 89266218 (CID 89266218) is not available.
What is the SMILES notation for CID 89266218?
The canonical SMILES for CID 89266218 is [B]C1C(C)OC[C@@H]([B])C1[B].
What is the InChIKey of CID 89266218?
The InChIKey is IFPBUNBEIUAQDF-FPPIULTPSA-N. The full InChI is InChI=1S/C6H9B3O/c1-3-5(8)6(9)4(7)2-10-3/h3-6H,2H2,1H3/t3?,4-,5?,6?/m1/s1.
What are the key properties of CID 89266218?
CID 89266218 has a molecular weight of 129.57 g/mol, XLogP of 0.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89266218 is sourced from PubChem (CID 89266218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).