O-[hydroxy-[(E)-octadec-9-enoxy]phosphinothioyl]hydroxylamine

C18H38NO3PS — CID 89066232

IUPACO-[hydroxy-[(E)-octadec-9-enoxy]phosphinothioyl]hydroxylamine
SMILESCCCCCCCC/C=C/CCCCCCCCOP(O)(=S)ON
InChIInChI=1S/C18H38NO3PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-23(20,24)22-19/h9-10H,2-8,11-19H2,1H3,(H,20,24)/b10-9+
InChIKeyLWLRSRWKRABIAX-MDZDMXLPSA-N
MW379.55 g/mol
LogP6.15
Rot. Bonds18

About O-[hydroxy-[(E)-octadec-9-enoxy]phosphinothioyl]hydroxylamine

O-[hydroxy-[(E)-octadec-9-enoxy]phosphinothioyl]hydroxylamine (PubChem CID 89066232) has the molecular formula C18H38NO3PS and a molecular weight of 379.55 g/mol. Its IUPAC name is O-[hydroxy-[(E)-octadec-9-enoxy]phosphinothioyl]hydroxylamine.

Molecular Properties

Compound NameO-[hydroxy-[(E)-octadec-9-enoxy]phosphinothioyl]hydroxylamine
PubChem CID89066232
Molecular FormulaC18H38NO3PS
Molecular Weight379.55 g/mol
Exact Mass379.23
IUPAC NameO-[hydroxy-[(E)-octadec-9-enoxy]phosphinothioyl]hydroxylamine
SMILESCCCCCCCC/C=C/CCCCCCCCOP(O)(=S)ON
InChIInChI=1S/C18H38NO3PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-23(20,24)22-19/h9-10H,2-8,11-19H2,1H3,(H,20,24)/b10-9+
InChIKeyLWLRSRWKRABIAX-MDZDMXLPSA-N
XLogP6.15
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.55
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

hydroxy-methylperoxy-[(Z)-octadec-9-enoxy]-sulfanylidene-λ5-phosphane
CID 126575505
hydroxy-[(E)-octadec-9-enoxy]-oxido-sulfanylidene-λ5-phosphane
CID 58049486
dihydroxy-octadeca-9,12-dienoxy-sulfanylidene-λ5-phosphane
CID 76673105
butoxy-hexoxy-hydroxy-sulfanylidene-λ5-phosphane
CID 89235788
[(Z)-hexadec-9-enyl] dihydrogen phosphate
CID 122597985
dichloro-[(Z)-octadec-9-enoxy]-sulfanylidene-λ5-phosphane
CID 118211592
methyl octadec-9-enyl hydrogen phosphate
CID 90872406
[(Z)-octadec-9-enoxy]-propylphosphinic acid
CID 139947162
iron;[(Z)-octadec-9-enoxy]-[(Z)-octadec-9-enyl]phosphinic acid
CID 87602188
1-dihydroxyphosphinothioyloxy-3-octadec-9-enoxypropan-2-ol
CID 72986618
amino hexyl hydrogen phosphate
CID 57238608
bis[(E)-octadec-9-enyl] carbonate
CID 22342299

Frequently Asked Questions

What is the IUPAC name of O-[hydroxy-[(E)-octadec-9-enoxy]phosphinothioyl]hydroxylamine?
The IUPAC name of O-[hydroxy-[(E)-octadec-9-enoxy]phosphinothioyl]hydroxylamine (CID 89066232) is O-[hydroxy-[(E)-octadec-9-enoxy]phosphinothioyl]hydroxylamine.
What is the SMILES notation for O-[hydroxy-[(E)-octadec-9-enoxy]phosphinothioyl]hydroxylamine?
The canonical SMILES for O-[hydroxy-[(E)-octadec-9-enoxy]phosphinothioyl]hydroxylamine is CCCCCCCC/C=C/CCCCCCCCOP(O)(=S)ON.
What is the InChIKey of O-[hydroxy-[(E)-octadec-9-enoxy]phosphinothioyl]hydroxylamine?
The InChIKey is LWLRSRWKRABIAX-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H38NO3PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-23(20,24)22-19/h9-10H,2-8,11-19H2,1H3,(H,20,24)/b10-9+.
What are the key properties of O-[hydroxy-[(E)-octadec-9-enoxy]phosphinothioyl]hydroxylamine?
O-[hydroxy-[(E)-octadec-9-enoxy]phosphinothioyl]hydroxylamine has a molecular weight of 379.55 g/mol, XLogP of 6.15, 18 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[hydroxy-[(E)-octadec-9-enoxy]phosphinothioyl]hydroxylamine is sourced from PubChem (CID 89066232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).