decyl 2-aminooxybenzoate

C17H27NO3 — CID 21423599

IUPACdecyl 2-aminooxybenzoate
SMILESCCCCCCCCCCOC(=O)c1ccccc1ON
InChIInChI=1S/C17H27NO3/c1-2-3-4-5-6-7-8-11-14-20-17(19)15-12-9-10-13-16(15)21-18/h9-10,12-13H,2-8,11,14,18H2,1H3
InChIKeyXSMADFXTNWGRET-UHFFFAOYSA-N
MW293.41 g/mol
LogP4.24
Rot. Bonds11

About decyl 2-aminooxybenzoate

decyl 2-aminooxybenzoate (PubChem CID 21423599) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is decyl 2-aminooxybenzoate.

Molecular Properties

Compound Namedecyl 2-aminooxybenzoate
PubChem CID21423599
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Namedecyl 2-aminooxybenzoate
SMILESCCCCCCCCCCOC(=O)c1ccccc1ON
InChIInChI=1S/C17H27NO3/c1-2-3-4-5-6-7-8-11-14-20-17(19)15-12-9-10-13-16(15)21-18/h9-10,12-13H,2-8,11,14,18H2,1H3
InChIKeyXSMADFXTNWGRET-UHFFFAOYSA-N
XLogP4.24
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

dodecyl 2-dodecoxybenzoate
CID 57240468
hexyl 2-hexoxybenzoate
CID 86163108
hexyl 2-butoxybenzoate
CID 70562326
butyl 2-octoxybenzoate
CID 50943104
butyl 2-nonoxybenzoate
CID 151830441
diicosyl benzene-1,2-dicarboxylate
CID 22491819
2-O-nonyl 1-O-pentyl benzene-1,2-dicarboxylate
CID 6423391
dinonyl benzene-1,2-dicarboxylate;dioctyl benzene-1,2-dicarboxylate
CID 159101599
1-O-hexyl 2-O-tetradecyl benzene-1,2-dicarboxylate
CID 6423379
ditridecyl benzene-1,2-dicarboxylate
CID 8379
didecyl benzene-1,2-dicarboxylate;ditridecyl benzene-1,2-dicarboxylate
CID 88778936
2-O-decyl 1-O-pentyl benzene-1,2-dicarboxylate
CID 6423868

Frequently Asked Questions

What is the IUPAC name of decyl 2-aminooxybenzoate?
The IUPAC name of decyl 2-aminooxybenzoate (CID 21423599) is decyl 2-aminooxybenzoate.
What is the SMILES notation for decyl 2-aminooxybenzoate?
The canonical SMILES for decyl 2-aminooxybenzoate is CCCCCCCCCCOC(=O)c1ccccc1ON.
What is the InChIKey of decyl 2-aminooxybenzoate?
The InChIKey is XSMADFXTNWGRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-2-3-4-5-6-7-8-11-14-20-17(19)15-12-9-10-13-16(15)21-18/h9-10,12-13H,2-8,11,14,18H2,1H3.
What are the key properties of decyl 2-aminooxybenzoate?
decyl 2-aminooxybenzoate has a molecular weight of 293.41 g/mol, XLogP of 4.24, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 2-aminooxybenzoate is sourced from PubChem (CID 21423599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).