aminooxy(pentyl)borinic acid

C5H14BNO2 — CID 88633345

IUPACaminooxy(pentyl)borinic acid
SMILESCCCCCB(O)ON
InChIInChI=1S/C5H14BNO2/c1-2-3-4-5-6(8)9-7/h8H,2-5,7H2,1H3
InChIKeyJRFWVMXZTAZNNX-UHFFFAOYSA-N
MW130.98 g/mol
LogP0.55
Rot. Bonds5

About aminooxy(pentyl)borinic acid

aminooxy(pentyl)borinic acid (PubChem CID 88633345) has the molecular formula C5H14BNO2 and a molecular weight of 130.98 g/mol. Its IUPAC name is aminooxy(pentyl)borinic acid.

Molecular Properties

Compound Nameaminooxy(pentyl)borinic acid
PubChem CID88633345
Molecular FormulaC5H14BNO2
Molecular Weight130.98 g/mol
Exact Mass131.11
IUPAC Nameaminooxy(pentyl)borinic acid
SMILESCCCCCB(O)ON
InChIInChI=1S/C5H14BNO2/c1-2-3-4-5-6(8)9-7/h8H,2-5,7H2,1H3
InChIKeyJRFWVMXZTAZNNX-UHFFFAOYSA-N
XLogP0.55
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.98
LogP ≤ 50.55
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 156634462
CID 156634462
CID 156634460
CID 156634460
tetradecylboronic acid
CID 3528229
octadecylboronic acid
CID 521161
di(nonoxy)borinic acid
CID 150530087
nonadecoxyboronic acid
CID 154133434
O-octacosylhydroxylamine
CID 151286755
O-butylhydroxylamine;hydroxylamine
CID 19968689
O-nonadecylhydroxylamine
CID 59050271
O-nonylhydroxylamine
CID 5118359
1,1-dioctoxydodeca-1,3-diene
CID 175225368
azane;hexoxyboronic acid
CID 174594578

Frequently Asked Questions

What is the IUPAC name of aminooxy(pentyl)borinic acid?
The IUPAC name of aminooxy(pentyl)borinic acid (CID 88633345) is aminooxy(pentyl)borinic acid.
What is the SMILES notation for aminooxy(pentyl)borinic acid?
The canonical SMILES for aminooxy(pentyl)borinic acid is CCCCCB(O)ON.
What is the InChIKey of aminooxy(pentyl)borinic acid?
The InChIKey is JRFWVMXZTAZNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14BNO2/c1-2-3-4-5-6(8)9-7/h8H,2-5,7H2,1H3.
What are the key properties of aminooxy(pentyl)borinic acid?
aminooxy(pentyl)borinic acid has a molecular weight of 130.98 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aminooxy(pentyl)borinic acid is sourced from PubChem (CID 88633345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).