CID 159329141

CH5B2O2 — CID 159329141

IUPAC—
SMILESCB(O)O.[B]
InChIInChI=1S/CH5BO2.B/c1-2(3)4;/h3-4H,1H3;
InChIKeyYVSWPNBLVYKSNP-UHFFFAOYSA-N
MW70.67 g/mol
LogP-1.29
Rot. Bonds

About CID 159329141

CID 159329141 (PubChem CID 159329141) has the molecular formula CH5B2O2 and a molecular weight of 70.67 g/mol.

Molecular Properties

Compound NameCID 159329141
PubChem CID159329141
Molecular FormulaCH5B2O2
Molecular Weight70.67 g/mol
Exact Mass71.05
IUPAC Name—
SMILESCB(O)O.[B]
InChIInChI=1S/CH5BO2.B/c1-2(3)4;/h3-4H,1H3;
InChIKeyYVSWPNBLVYKSNP-UHFFFAOYSA-N
XLogP-1.29
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50070.67
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
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 159329141?
The IUPAC name of CID 159329141 (CID 159329141) is not available.
What is the SMILES notation for CID 159329141?
The canonical SMILES for CID 159329141 is CB(O)O.[B].
What is the InChIKey of CID 159329141?
The InChIKey is YVSWPNBLVYKSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5BO2.B/c1-2(3)4;/h3-4H,1H3;.
What are the key properties of CID 159329141?
CID 159329141 has a molecular weight of 70.67 g/mol, XLogP of -1.29, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159329141 is sourced from PubChem (CID 159329141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).