CID 123281160

C2H5BO2 — CID 123281160

IUPAC—
SMILES[B][C@@H](O)CO
InChIInChI=1S/C2H5BO2/c3-2(5)1-4/h2,4-5H,1H2/t2-/m0/s1
InChIKeyOCAIXZAUOGGVDG-REOHCLBHSA-N
MW71.87 g/mol
LogP-1.53
Rot. Bonds1

About CID 123281160

CID 123281160 (PubChem CID 123281160) has the molecular formula C2H5BO2 and a molecular weight of 71.87 g/mol.

Molecular Properties

Compound NameCID 123281160
PubChem CID123281160
Molecular FormulaC2H5BO2
Molecular Weight71.87 g/mol
Exact Mass72.04
IUPAC Name—
SMILES[B][C@@H](O)CO
InChIInChI=1S/C2H5BO2/c3-2(5)1-4/h2,4-5H,1H2/t2-/m0/s1
InChIKeyOCAIXZAUOGGVDG-REOHCLBHSA-N
XLogP-1.53
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50071.87
LogP ≤ 5-1.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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CID 91370705
(2R,5S)-hexane-1,2,3,4,5,6-hexol
CID 88909362
(2R,3S,4S,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 87912891

Frequently Asked Questions

What is the IUPAC name of CID 123281160?
The IUPAC name of CID 123281160 (CID 123281160) is not available.
What is the SMILES notation for CID 123281160?
The canonical SMILES for CID 123281160 is [B][C@@H](O)CO.
What is the InChIKey of CID 123281160?
The InChIKey is OCAIXZAUOGGVDG-REOHCLBHSA-N. The full InChI is InChI=1S/C2H5BO2/c3-2(5)1-4/h2,4-5H,1H2/t2-/m0/s1.
What are the key properties of CID 123281160?
CID 123281160 has a molecular weight of 71.87 g/mol, XLogP of -1.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123281160 is sourced from PubChem (CID 123281160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).