nonadecoxyboronic acid

C19H41BO3 — CID 154133434

IUPACnonadecoxyboronic acid
SMILESCCCCCCCCCCCCCCCCCCCOB(O)O
InChIInChI=1S/C19H41BO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20(21)22/h21-22H,2-19H2,1H3
InChIKeyFDQCGSDPCAUNSB-UHFFFAOYSA-N
MW328.35 g/mol
LogP5.62
Rot. Bonds19

About nonadecoxyboronic acid

nonadecoxyboronic acid (PubChem CID 154133434) has the molecular formula C19H41BO3 and a molecular weight of 328.35 g/mol. Its IUPAC name is nonadecoxyboronic acid.

Molecular Properties

Compound Namenonadecoxyboronic acid
PubChem CID154133434
Molecular FormulaC19H41BO3
Molecular Weight328.35 g/mol
Exact Mass328.31
IUPAC Namenonadecoxyboronic acid
SMILESCCCCCCCCCCCCCCCCCCCOB(O)O
InChIInChI=1S/C19H41BO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20(21)22/h21-22H,2-19H2,1H3
InChIKeyFDQCGSDPCAUNSB-UHFFFAOYSA-N
XLogP5.62
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.35
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze nonadecoxyboronic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azane;hexoxyboronic acid
CID 174594578
copper;hexoxyboronic acid
CID 174901938
tridecoxyboronic acid;tridodecyl borate
CID 174050200
di(nonoxy)borinic acid
CID 150530087
2-hydroxyethyl(trimethyl)azanium;tetradecoxyboronic acid
CID 174886469
trihexyl borate
CID 21423
ethyl(dihexoxy)borane
CID 12007808
10,10-dimethylundecoxyboronic acid
CID 150810313
heptadecylphosphanylmethoxyboronic acid
CID 172762167
pentadecoxymethylboronic acid
CID 151152394
hexoxy-hexyl-methylborane
CID 102060099
6,6-dihydroxyhexoxyboronic acid
CID 87179416

Frequently Asked Questions

What is the IUPAC name of nonadecoxyboronic acid?
The IUPAC name of nonadecoxyboronic acid (CID 154133434) is nonadecoxyboronic acid.
What is the SMILES notation for nonadecoxyboronic acid?
The canonical SMILES for nonadecoxyboronic acid is CCCCCCCCCCCCCCCCCCCOB(O)O.
What is the InChIKey of nonadecoxyboronic acid?
The InChIKey is FDQCGSDPCAUNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41BO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20(21)22/h21-22H,2-19H2,1H3.
What are the key properties of nonadecoxyboronic acid?
nonadecoxyboronic acid has a molecular weight of 328.35 g/mol, XLogP of 5.62, 19 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nonadecoxyboronic acid is sourced from PubChem (CID 154133434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).