dihydroxy(oxo)phosphanium;octadec-9-enylazanium

C18H40NO3P+2 — CID 57351234

IUPACdihydroxy(oxo)phosphanium;octadec-9-enylazanium
SMILESCCCCCCCCC=CCCCCCCCC[NH3+].O=[P+](O)O
InChIInChI=1S/C18H37N.HO3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-4(2)3/h9-10H,2-8,11-19H2,1H3;(H-,1,2,3)/p+2
InChIKeyDECDSLJTLJDXFN-UHFFFAOYSA-P
MW349.50 g/mol
LogP4.89
Rot. Bonds15

About dihydroxy(oxo)phosphanium;octadec-9-enylazanium

dihydroxy(oxo)phosphanium;octadec-9-enylazanium (PubChem CID 57351234) has the molecular formula C18H40NO3P+2 and a molecular weight of 349.50 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;octadec-9-enylazanium.

Molecular Properties

Compound Namedihydroxy(oxo)phosphanium;octadec-9-enylazanium
PubChem CID57351234
Molecular FormulaC18H40NO3P+2
Molecular Weight349.50 g/mol
Exact Mass349.27
IUPAC Namedihydroxy(oxo)phosphanium;octadec-9-enylazanium
SMILESCCCCCCCCC=CCCCCCCCC[NH3+].O=[P+](O)O
InChIInChI=1S/C18H37N.HO3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-4(2)3/h9-10H,2-8,11-19H2,1H3;(H-,1,2,3)/p+2
InChIKeyDECDSLJTLJDXFN-UHFFFAOYSA-P
XLogP4.89
TPSA85.17 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

chromium;hydroxy-[(Z)-octadec-9-enyl]-oxophosphanium
CID 87139944
(Z)-octadec-9-enoate;octylazanium
CID 135289707
(Z)-docos-9-ene
CID 11690102
(Z)-tricos-11-ene
CID 5356790
(E)-hexadec-6-ene
CID 5352260
dihydroxy(oxo)phosphanium;dodecane
CID 18620358
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
dihydroxy(oxo)phosphanium;bis(octadecane)
CID 87485521
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
(24Z)-hexatriaconta-9,24-diene
CID 173127472

Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)phosphanium;octadec-9-enylazanium?
The IUPAC name of dihydroxy(oxo)phosphanium;octadec-9-enylazanium (CID 57351234) is dihydroxy(oxo)phosphanium;octadec-9-enylazanium.
What is the SMILES notation for dihydroxy(oxo)phosphanium;octadec-9-enylazanium?
The canonical SMILES for dihydroxy(oxo)phosphanium;octadec-9-enylazanium is CCCCCCCCC=CCCCCCCCC[NH3+].O=[P+](O)O.
What is the InChIKey of dihydroxy(oxo)phosphanium;octadec-9-enylazanium?
The InChIKey is DECDSLJTLJDXFN-UHFFFAOYSA-P. The full InChI is InChI=1S/C18H37N.HO3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-4(2)3/h9-10H,2-8,11-19H2,1H3;(H-,1,2,3)/p+2.
What are the key properties of dihydroxy(oxo)phosphanium;octadec-9-enylazanium?
dihydroxy(oxo)phosphanium;octadec-9-enylazanium has a molecular weight of 349.50 g/mol, XLogP of 4.89, 15 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)phosphanium;octadec-9-enylazanium is sourced from PubChem (CID 57351234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).