CID 147254336

C6H11BO2 — CID 147254336

IUPAC—
SMILES[B][C@@]1(C)CO[C@H](CO)C1
InChIInChI=1S/C6H11BO2/c1-6(7)2-5(3-8)9-4-6/h5,8H,2-4H2,1H3/t5-,6+/m0/s1
InChIKeyHYLZIONAYDEVDN-NTSWFWBYSA-N
MW125.96 g/mol
LogP0.11
Rot. Bonds1

About CID 147254336

CID 147254336 (PubChem CID 147254336) has the molecular formula C6H11BO2 and a molecular weight of 125.96 g/mol.

Molecular Properties

Compound NameCID 147254336
PubChem CID147254336
Molecular FormulaC6H11BO2
Molecular Weight125.96 g/mol
Exact Mass126.09
IUPAC Name—
SMILES[B][C@@]1(C)CO[C@H](CO)C1
InChIInChI=1S/C6H11BO2/c1-6(7)2-5(3-8)9-4-6/h5,8H,2-4H2,1H3/t5-,6+/m0/s1
InChIKeyHYLZIONAYDEVDN-NTSWFWBYSA-N
XLogP0.11
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.96
LogP ≤ 50.11
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 147254336?
The IUPAC name of CID 147254336 (CID 147254336) is not available.
What is the SMILES notation for CID 147254336?
The canonical SMILES for CID 147254336 is [B][C@@]1(C)CO[C@H](CO)C1.
What is the InChIKey of CID 147254336?
The InChIKey is HYLZIONAYDEVDN-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H11BO2/c1-6(7)2-5(3-8)9-4-6/h5,8H,2-4H2,1H3/t5-,6+/m0/s1.
What are the key properties of CID 147254336?
CID 147254336 has a molecular weight of 125.96 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 147254336 is sourced from PubChem (CID 147254336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).