azane;hexoxyboronic acid

C6H18BNO3 — CID 174594578

IUPACazane;hexoxyboronic acid
SMILESCCCCCCOB(O)O.N
InChIInChI=1S/C6H15BO3.H3N/c1-2-3-4-5-6-10-7(8)9;/h8-9H,2-6H2,1H3;1H3
InChIKeyULPDHEANNFFALJ-UHFFFAOYSA-N
MW163.03 g/mol
LogP0.71
Rot. Bonds6

About azane;hexoxyboronic acid

azane;hexoxyboronic acid (PubChem CID 174594578) has the molecular formula C6H18BNO3 and a molecular weight of 163.03 g/mol. Its IUPAC name is azane;hexoxyboronic acid.

Molecular Properties

Compound Nameazane;hexoxyboronic acid
PubChem CID174594578
Molecular FormulaC6H18BNO3
Molecular Weight163.03 g/mol
Exact Mass163.14
IUPAC Nameazane;hexoxyboronic acid
SMILESCCCCCCOB(O)O.N
InChIInChI=1S/C6H15BO3.H3N/c1-2-3-4-5-6-10-7(8)9;/h8-9H,2-6H2,1H3;1H3
InChIKeyULPDHEANNFFALJ-UHFFFAOYSA-N
XLogP0.71
TPSA84.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.03
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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
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
azane;1-tetradecoxytetradecane
CID 22505765
azane;1-decoxydecane
CID 87410134
heptadecylphosphanylmethoxyboronic acid
CID 172762167
pentadecoxymethylboronic acid
CID 151152394

Frequently Asked Questions

What is the IUPAC name of azane;hexoxyboronic acid?
The IUPAC name of azane;hexoxyboronic acid (CID 174594578) is azane;hexoxyboronic acid.
What is the SMILES notation for azane;hexoxyboronic acid?
The canonical SMILES for azane;hexoxyboronic acid is CCCCCCOB(O)O.N.
What is the InChIKey of azane;hexoxyboronic acid?
The InChIKey is ULPDHEANNFFALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15BO3.H3N/c1-2-3-4-5-6-10-7(8)9;/h8-9H,2-6H2,1H3;1H3.
What are the key properties of azane;hexoxyboronic acid?
azane;hexoxyboronic acid has a molecular weight of 163.03 g/mol, XLogP of 0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;hexoxyboronic acid is sourced from PubChem (CID 174594578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).