CID 173381512

C2H5BO3 — CID 173381512

IUPAC—
SMILES[B]OOOCC
InChIInChI=1S/C2H5BO3/c1-2-4-6-5-3/h2H2,1H3
InChIKeyHSXJFZBMFOHBBH-UHFFFAOYSA-N
MW87.87 g/mol
LogP-0.03
Rot. Bonds3

About CID 173381512

CID 173381512 (PubChem CID 173381512) has the molecular formula C2H5BO3 and a molecular weight of 87.87 g/mol.

Molecular Properties

Compound NameCID 173381512
PubChem CID173381512
Molecular FormulaC2H5BO3
Molecular Weight87.87 g/mol
Exact Mass88.03
IUPAC Name—
SMILES[B]OOOCC
InChIInChI=1S/C2H5BO3/c1-2-4-6-5-3/h2H2,1H3
InChIKeyHSXJFZBMFOHBBH-UHFFFAOYSA-N
XLogP-0.03
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.87
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

ethoxyperoxyethane;phosphane
CID 174988204
methoxyperoxyperoxyperoxyethane
CID 89243082
hydroperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyperoxyethane
CID 89194899
azane;ethoxyperoxyethane;sulfuric acid
CID 175377897
ethoxyperoxyethane;propane-1,2-diol
CID 87183178
1-ethoxyperoxyethane-1,1-diol
CID 87123347
methylperoxyethane;niobium
CID 139791519
1,2-diethoxyethane;hydrofluoride
CID 175535770
2-ethylperoxyethanamine
CID 54218217
ethoxy dihydrogen phosphite
CID 88518120
N-ethylperoxymethanimine
CID 174443924
methanol;tetraethoxy silicate
CID 131718397

Frequently Asked Questions

What is the IUPAC name of CID 173381512?
The IUPAC name of CID 173381512 (CID 173381512) is not available.
What is the SMILES notation for CID 173381512?
The canonical SMILES for CID 173381512 is [B]OOOCC.
What is the InChIKey of CID 173381512?
The InChIKey is HSXJFZBMFOHBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5BO3/c1-2-4-6-5-3/h2H2,1H3.
What are the key properties of CID 173381512?
CID 173381512 has a molecular weight of 87.87 g/mol, XLogP of -0.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 173381512 is sourced from PubChem (CID 173381512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).