CID 155724244

C7H15B2O2 — CID 155724244

IUPAC—
SMILES[B]C[B]OC(C)(C)C(C)(C)O
InChIInChI=1S/C7H15B2O2/c1-6(2,10)7(3,4)11-9-5-8/h10H,5H2,1-4H3
InChIKeyVFQKZVOCCDXUQA-UHFFFAOYSA-N
MW152.82 g/mol
LogP0.72
Rot. Bonds4

About CID 155724244

CID 155724244 (PubChem CID 155724244) has the molecular formula C7H15B2O2 and a molecular weight of 152.82 g/mol.

Molecular Properties

Compound NameCID 155724244
PubChem CID155724244
Molecular FormulaC7H15B2O2
Molecular Weight152.82 g/mol
Exact Mass153.13
IUPAC Name—
SMILES[B]C[B]OC(C)(C)C(C)(C)O
InChIInChI=1S/C7H15B2O2/c1-6(2,10)7(3,4)11-9-5-8/h10H,5H2,1-4H3
InChIKeyVFQKZVOCCDXUQA-UHFFFAOYSA-N
XLogP0.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.82
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 155724244?
The IUPAC name of CID 155724244 (CID 155724244) is not available.
What is the SMILES notation for CID 155724244?
The canonical SMILES for CID 155724244 is [B]C[B]OC(C)(C)C(C)(C)O.
What is the InChIKey of CID 155724244?
The InChIKey is VFQKZVOCCDXUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15B2O2/c1-6(2,10)7(3,4)11-9-5-8/h10H,5H2,1-4H3.
What are the key properties of CID 155724244?
CID 155724244 has a molecular weight of 152.82 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155724244 is sourced from PubChem (CID 155724244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).