hydroxy-imino-dioctoxy-λ5-phosphane

C16H36NO3P — CID 123483263

IUPAChydroxy-imino-dioctoxy-λ5-phosphane
SMILES[H]N=P(O)(OCCCCCCCC)OCCCCCCCC
InChIInChI=1S/C16H36NO3P/c1-3-5-7-9-11-13-15-19-21(17,18)20-16-14-12-10-8-6-4-2/h3-16H2,1-2H3,(H2,17,18)
InChIKeyYWYGUFRURNRFJW-UHFFFAOYSA-N
MW321.44 g/mol
LogP6.26
Rot. Bonds16

About hydroxy-imino-dioctoxy-λ5-phosphane

hydroxy-imino-dioctoxy-λ5-phosphane (PubChem CID 123483263) has the molecular formula C16H36NO3P and a molecular weight of 321.44 g/mol. Its IUPAC name is hydroxy-imino-dioctoxy-λ5-phosphane.

Molecular Properties

Compound Namehydroxy-imino-dioctoxy-λ5-phosphane
PubChem CID123483263
Molecular FormulaC16H36NO3P
Molecular Weight321.44 g/mol
Exact Mass321.24
IUPAC Namehydroxy-imino-dioctoxy-λ5-phosphane
SMILES[H]N=P(O)(OCCCCCCCC)OCCCCCCCC
InChIInChI=1S/C16H36NO3P/c1-3-5-7-9-11-13-15-19-21(17,18)20-16-14-12-10-8-6-4-2/h3-16H2,1-2H3,(H2,17,18)
InChIKeyYWYGUFRURNRFJW-UHFFFAOYSA-N
XLogP6.26
TPSA62.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.44
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

octatriacontyl dihydrogen phosphate
CID 140979287
decyl dodecyl hydrogen phosphate
CID 20810618
hexyl nonyl hydrogen phosphate
CID 23169649
heptyl dihydrogen phosphate;octyl dihydrogen phosphate
CID 160757103
pentatriacontyl dihydrogen phosphate
CID 164897229
hexadecyl hexyl hydrogen phosphate
CID 15132676
hexadecyl dihydrogen phosphate;tetradecyl dihydrogen phosphate
CID 159430233
iron;octadecyl dihydrogen phosphate
CID 175059517
hexyl dihydrogen phosphate;neodymium
CID 174801976
decyl propyl hydrogen phosphate
CID 87587050
didodecyl hydrogen phosphate;nickel
CID 87136164
butyl heptyl hydrogen phosphate
CID 86151412

Frequently Asked Questions

What is the IUPAC name of hydroxy-imino-dioctoxy-λ5-phosphane?
The IUPAC name of hydroxy-imino-dioctoxy-λ5-phosphane (CID 123483263) is hydroxy-imino-dioctoxy-λ5-phosphane.
What is the SMILES notation for hydroxy-imino-dioctoxy-λ5-phosphane?
The canonical SMILES for hydroxy-imino-dioctoxy-λ5-phosphane is [H]N=P(O)(OCCCCCCCC)OCCCCCCCC.
What is the InChIKey of hydroxy-imino-dioctoxy-λ5-phosphane?
The InChIKey is YWYGUFRURNRFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36NO3P/c1-3-5-7-9-11-13-15-19-21(17,18)20-16-14-12-10-8-6-4-2/h3-16H2,1-2H3,(H2,17,18).
What are the key properties of hydroxy-imino-dioctoxy-λ5-phosphane?
hydroxy-imino-dioctoxy-λ5-phosphane has a molecular weight of 321.44 g/mol, XLogP of 6.26, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-imino-dioctoxy-λ5-phosphane is sourced from PubChem (CID 123483263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).