16-aminooxyoctadecanoic acid

C18H37NO3 — CID 100989936

IUPAC16-aminooxyoctadecanoic acid
SMILESCCC(CCCCCCCCCCCCCCC(=O)O)ON
InChIInChI=1S/C18H37NO3/c1-2-17(22-19)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(20)21/h17H,2-16,19H2,1H3,(H,20,21)
InChIKeyTVQAHZYBVLNRNN-UHFFFAOYSA-N
MW315.50 g/mol
LogP5.20
Rot. Bonds17

About 16-aminooxyoctadecanoic acid

16-aminooxyoctadecanoic acid (PubChem CID 100989936) has the molecular formula C18H37NO3 and a molecular weight of 315.50 g/mol. Its IUPAC name is 16-aminooxyoctadecanoic acid.

Molecular Properties

Compound Name16-aminooxyoctadecanoic acid
PubChem CID100989936
Molecular FormulaC18H37NO3
Molecular Weight315.50 g/mol
Exact Mass315.28
IUPAC Name16-aminooxyoctadecanoic acid
SMILESCCC(CCCCCCCCCCCCCCC(=O)O)ON
InChIInChI=1S/C18H37NO3/c1-2-17(22-19)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(20)21/h17H,2-16,19H2,1H3,(H,20,21)
InChIKeyTVQAHZYBVLNRNN-UHFFFAOYSA-N
XLogP5.20
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.50
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

13-hydroperoxyoctadecanoic acid
CID 86209099
9-octan-3-yloxycarbonylheptadecanoic acid
CID 87145098
15-octadecanoyloxyheptadecanoic acid
CID 133049342
6-nonan-3-yloxy-6-oxohexanoic acid
CID 88691174
12-heptadecanoyloxytetradecanoic acid
CID 133049066
7-oxo-7-undecan-3-yloxyheptanoic acid
CID 164591298
13-tetradecanoyloxypentadecanoic acid
CID 133048378
13-methoxyhenicosanoic acid
CID 15389271
6,9,12-trimethoxyoctadecanoic acid
CID 22371562
8-carboxyoxyundecanoic acid
CID 11053939
5-icosanoyloxyheptanoic acid
CID 138303172
azane;7-ethyloctadecanedioic acid
CID 173365453

Frequently Asked Questions

What is the IUPAC name of 16-aminooxyoctadecanoic acid?
The IUPAC name of 16-aminooxyoctadecanoic acid (CID 100989936) is 16-aminooxyoctadecanoic acid.
What is the SMILES notation for 16-aminooxyoctadecanoic acid?
The canonical SMILES for 16-aminooxyoctadecanoic acid is CCC(CCCCCCCCCCCCCCC(=O)O)ON.
What is the InChIKey of 16-aminooxyoctadecanoic acid?
The InChIKey is TVQAHZYBVLNRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO3/c1-2-17(22-19)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(20)21/h17H,2-16,19H2,1H3,(H,20,21).
What are the key properties of 16-aminooxyoctadecanoic acid?
16-aminooxyoctadecanoic acid has a molecular weight of 315.50 g/mol, XLogP of 5.20, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 16-aminooxyoctadecanoic acid is sourced from PubChem (CID 100989936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).