O-[(9Z,12Z)-octadeca-9,12-dienyl]hydroxylamine

C18H35NO — CID 59516314

IUPACO-[(9Z,12Z)-octadeca-9,12-dienyl]hydroxylamine
SMILESCCCCC/C=C\C/C=C\CCCCCCCCON
InChIInChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19/h6-7,9-10H,2-5,8,11-19H2,1H3/b7-6-,10-9-
InChIKeyDRNVBSBLOCXJRN-HZJYTTRNSA-N
MW281.48 g/mol
LogP5.69
Rot. Bonds15

About O-[(9Z,12Z)-octadeca-9,12-dienyl]hydroxylamine

O-[(9Z,12Z)-octadeca-9,12-dienyl]hydroxylamine (PubChem CID 59516314) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is O-[(9Z,12Z)-octadeca-9,12-dienyl]hydroxylamine.

Molecular Properties

Compound NameO-[(9Z,12Z)-octadeca-9,12-dienyl]hydroxylamine
PubChem CID59516314
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC NameO-[(9Z,12Z)-octadeca-9,12-dienyl]hydroxylamine
SMILESCCCCC/C=C\C/C=C\CCCCCCCCON
InChIInChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19/h6-7,9-10H,2-5,8,11-19H2,1H3/b7-6-,10-9-
InChIKeyDRNVBSBLOCXJRN-HZJYTTRNSA-N
XLogP5.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.48
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of O-[(9Z,12Z)-octadeca-9,12-dienyl]hydroxylamine?
The IUPAC name of O-[(9Z,12Z)-octadeca-9,12-dienyl]hydroxylamine (CID 59516314) is O-[(9Z,12Z)-octadeca-9,12-dienyl]hydroxylamine.
What is the SMILES notation for O-[(9Z,12Z)-octadeca-9,12-dienyl]hydroxylamine?
The canonical SMILES for O-[(9Z,12Z)-octadeca-9,12-dienyl]hydroxylamine is CCCCC/C=C\C/C=C\CCCCCCCCON.
What is the InChIKey of O-[(9Z,12Z)-octadeca-9,12-dienyl]hydroxylamine?
The InChIKey is DRNVBSBLOCXJRN-HZJYTTRNSA-N. The full InChI is InChI=1S/C18H35NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19/h6-7,9-10H,2-5,8,11-19H2,1H3/b7-6-,10-9-.
What are the key properties of O-[(9Z,12Z)-octadeca-9,12-dienyl]hydroxylamine?
O-[(9Z,12Z)-octadeca-9,12-dienyl]hydroxylamine has a molecular weight of 281.48 g/mol, XLogP of 5.69, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(9Z,12Z)-octadeca-9,12-dienyl]hydroxylamine is sourced from PubChem (CID 59516314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).