CID 59260247

C8H14BO — CID 59260247

IUPAC—
SMILESCC(=O)[B]C1CCCCC1
InChIInChI=1S/C8H14BO/c1-7(10)9-8-5-3-2-4-6-8/h8H,2-6H2,1H3
InChIKeyOUALNVOJOCAXKB-UHFFFAOYSA-N
MW137.01 g/mol
LogP1.99
Rot. Bonds2

About CID 59260247

CID 59260247 (PubChem CID 59260247) has the molecular formula C8H14BO and a molecular weight of 137.01 g/mol.

Molecular Properties

Compound NameCID 59260247
PubChem CID59260247
Molecular FormulaC8H14BO
Molecular Weight137.01 g/mol
Exact Mass137.11
IUPAC Name—
SMILESCC(=O)[B]C1CCCCC1
InChIInChI=1S/C8H14BO/c1-7(10)9-8-5-3-2-4-6-8/h8H,2-6H2,1H3
InChIKeyOUALNVOJOCAXKB-UHFFFAOYSA-N
XLogP1.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.01
LogP ≤ 51.99
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 59260247?
The IUPAC name of CID 59260247 (CID 59260247) is not available.
What is the SMILES notation for CID 59260247?
The canonical SMILES for CID 59260247 is CC(=O)[B]C1CCCCC1.
What is the InChIKey of CID 59260247?
The InChIKey is OUALNVOJOCAXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BO/c1-7(10)9-8-5-3-2-4-6-8/h8H,2-6H2,1H3.
What are the key properties of CID 59260247?
CID 59260247 has a molecular weight of 137.01 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59260247 is sourced from PubChem (CID 59260247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).