CID 58385968

C5H8BO2 — CID 58385968

IUPAC—
SMILESO[B]OC1=CCCC1
InChIInChI=1S/C5H8BO2/c7-6-8-5-3-1-2-4-5/h3,7H,1-2,4H2
InChIKeyLZVQNKHZPZLZTR-UHFFFAOYSA-N
MW110.93 g/mol
LogP0.60
Rot. Bonds2

About CID 58385968

CID 58385968 (PubChem CID 58385968) has the molecular formula C5H8BO2 and a molecular weight of 110.93 g/mol.

Molecular Properties

Compound NameCID 58385968
PubChem CID58385968
Molecular FormulaC5H8BO2
Molecular Weight110.93 g/mol
Exact Mass111.06
IUPAC Name—
SMILESO[B]OC1=CCCC1
InChIInChI=1S/C5H8BO2/c7-6-8-5-3-1-2-4-5/h3,7H,1-2,4H2
InChIKeyLZVQNKHZPZLZTR-UHFFFAOYSA-N
XLogP0.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.93
LogP ≤ 50.60
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 58385968?
The IUPAC name of CID 58385968 (CID 58385968) is not available.
What is the SMILES notation for CID 58385968?
The canonical SMILES for CID 58385968 is O[B]OC1=CCCC1.
What is the InChIKey of CID 58385968?
The InChIKey is LZVQNKHZPZLZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8BO2/c7-6-8-5-3-1-2-4-5/h3,7H,1-2,4H2.
What are the key properties of CID 58385968?
CID 58385968 has a molecular weight of 110.93 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58385968 is sourced from PubChem (CID 58385968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).