di(nonoxy)borinic acid

C18H39BO3 — CID 150530087

IUPACdi(nonoxy)borinic acid
SMILESCCCCCCCCCOB(O)OCCCCCCCCC
InChIInChI=1S/C18H39BO3/c1-3-5-7-9-11-13-15-17-21-19(20)22-18-16-14-12-10-8-6-4-2/h20H,3-18H2,1-2H3
InChIKeyJLJNCEZSNYTYQV-UHFFFAOYSA-N
MW314.32 g/mol
LogP5.50
Rot. Bonds18

About di(nonoxy)borinic acid

di(nonoxy)borinic acid (PubChem CID 150530087) has the molecular formula C18H39BO3 and a molecular weight of 314.32 g/mol. Its IUPAC name is di(nonoxy)borinic acid.

Molecular Properties

Compound Namedi(nonoxy)borinic acid
PubChem CID150530087
Molecular FormulaC18H39BO3
Molecular Weight314.32 g/mol
Exact Mass314.30
IUPAC Namedi(nonoxy)borinic acid
SMILESCCCCCCCCCOB(O)OCCCCCCCCC
InChIInChI=1S/C18H39BO3/c1-3-5-7-9-11-13-15-17-21-19(20)22-18-16-14-12-10-8-6-4-2/h20H,3-18H2,1-2H3
InChIKeyJLJNCEZSNYTYQV-UHFFFAOYSA-N
XLogP5.50
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.32
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

nonadecoxyboronic acid
CID 154133434
azane;hexoxyboronic acid
CID 174594578
copper;hexoxyboronic acid
CID 174901938
tridecoxyboronic acid;tridodecyl borate
CID 174050200
trihexyl borate
CID 21423
ethyl(dihexoxy)borane
CID 12007808
pentadecoxymethylboronic acid
CID 151152394
hexoxy-hexyl-methylborane
CID 102060099
2-hydroxyethyl(trimethyl)azanium;tetradecoxyboronic acid
CID 174886469
decane;ruthenium
CID 160818595
1-hydroperoxyheptadecane
CID 123893325
5-octoxypentan-1-ol
CID 22407981

Frequently Asked Questions

What is the IUPAC name of di(nonoxy)borinic acid?
The IUPAC name of di(nonoxy)borinic acid (CID 150530087) is di(nonoxy)borinic acid.
What is the SMILES notation for di(nonoxy)borinic acid?
The canonical SMILES for di(nonoxy)borinic acid is CCCCCCCCCOB(O)OCCCCCCCCC.
What is the InChIKey of di(nonoxy)borinic acid?
The InChIKey is JLJNCEZSNYTYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39BO3/c1-3-5-7-9-11-13-15-17-21-19(20)22-18-16-14-12-10-8-6-4-2/h20H,3-18H2,1-2H3.
What are the key properties of di(nonoxy)borinic acid?
di(nonoxy)borinic acid has a molecular weight of 314.32 g/mol, XLogP of 5.50, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for di(nonoxy)borinic acid is sourced from PubChem (CID 150530087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).