O-(1-phenyloct-3-yn-2-yloxy)hydroxylamine

C14H19NO2 — CID 102151297

IUPACO-(1-phenyloct-3-yn-2-yloxy)hydroxylamine
SMILESCCCCC#CC(Cc1ccccc1)OON
InChIInChI=1S/C14H19NO2/c1-2-3-4-8-11-14(16-17-15)12-13-9-6-5-7-10-13/h5-7,9-10,14H,2-4,12,15H2,1H3
InChIKeyRWOPIFQZDOJMNN-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.61
Rot. Bonds6

About O-(1-phenyloct-3-yn-2-yloxy)hydroxylamine

O-(1-phenyloct-3-yn-2-yloxy)hydroxylamine (PubChem CID 102151297) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is O-(1-phenyloct-3-yn-2-yloxy)hydroxylamine.

Molecular Properties

Compound NameO-(1-phenyloct-3-yn-2-yloxy)hydroxylamine
PubChem CID102151297
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameO-(1-phenyloct-3-yn-2-yloxy)hydroxylamine
SMILESCCCCC#CC(Cc1ccccc1)OON
InChIInChI=1S/C14H19NO2/c1-2-3-4-8-11-14(16-17-15)12-13-9-6-5-7-10-13/h5-7,9-10,14H,2-4,12,15H2,1H3
InChIKeyRWOPIFQZDOJMNN-UHFFFAOYSA-N
XLogP2.61
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
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'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of O-(1-phenyloct-3-yn-2-yloxy)hydroxylamine?
The IUPAC name of O-(1-phenyloct-3-yn-2-yloxy)hydroxylamine (CID 102151297) is O-(1-phenyloct-3-yn-2-yloxy)hydroxylamine.
What is the SMILES notation for O-(1-phenyloct-3-yn-2-yloxy)hydroxylamine?
The canonical SMILES for O-(1-phenyloct-3-yn-2-yloxy)hydroxylamine is CCCCC#CC(Cc1ccccc1)OON.
What is the InChIKey of O-(1-phenyloct-3-yn-2-yloxy)hydroxylamine?
The InChIKey is RWOPIFQZDOJMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-2-3-4-8-11-14(16-17-15)12-13-9-6-5-7-10-13/h5-7,9-10,14H,2-4,12,15H2,1H3.
What are the key properties of O-(1-phenyloct-3-yn-2-yloxy)hydroxylamine?
O-(1-phenyloct-3-yn-2-yloxy)hydroxylamine has a molecular weight of 233.31 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for O-(1-phenyloct-3-yn-2-yloxy)hydroxylamine is sourced from PubChem (CID 102151297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).