trimethyl(1-phosphoicos-4-enyl)azanium

C23H47NO2P+ — CID 172996340

IUPACtrimethyl(1-phosphoicos-4-enyl)azanium
SMILESCCCCCCCCCCCCCCCC=CCCC([P+](=O)[O-])[N+](C)(C)C
InChIInChI=1S/C23H47NO2P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(27(25)26)24(2,3)4/h19-20,23H,5-18,21-22H2,1-4H3/q+1
InChIKeyZVCDTVYHCQWVLW-UHFFFAOYSA-N
MW400.61 g/mol
LogP6.94
Rot. Bonds19

About trimethyl(1-phosphoicos-4-enyl)azanium

trimethyl(1-phosphoicos-4-enyl)azanium (PubChem CID 172996340) has the molecular formula C23H47NO2P+ and a molecular weight of 400.61 g/mol. Its IUPAC name is trimethyl(1-phosphoicos-4-enyl)azanium.

Molecular Properties

Compound Nametrimethyl(1-phosphoicos-4-enyl)azanium
PubChem CID172996340
Molecular FormulaC23H47NO2P+
Molecular Weight400.61 g/mol
Exact Mass400.33
IUPAC Nametrimethyl(1-phosphoicos-4-enyl)azanium
SMILESCCCCCCCCCCCCCCCC=CCCC([P+](=O)[O-])[N+](C)(C)C
InChIInChI=1S/C23H47NO2P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(27(25)26)24(2,3)4/h19-20,23H,5-18,21-22H2,1-4H3/q+1
InChIKeyZVCDTVYHCQWVLW-UHFFFAOYSA-N
XLogP6.94
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.61
LogP ≤ 56.94
H-Bond Donors ≤ 50
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': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

trimethyl-[(Z)-1-phosphohenicos-5-enyl]azanium
CID 149436280
(Z)-1,3-dihydroxypentacos-16-en-4-one;trimethyl(1-phosphopentyl)azanium
CID 158085946
trimethyl-[(Z)-2-phosphopentacos-13-en-3-yl]azanium
CID 154428389
trimethyl(3-phosphohexacos-14-en-4-yl)azanium
CID 173048120
(Z)-1,2-dihydroxytetracos-12-en-3-one;trimethyl(1-phosphopropyl)azanium
CID 161125157
(Z)-heptacos-11-ene
CID 56936074
(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
nonacos-6-ene
CID 25200821
(24Z)-hexatriaconta-9,24-diene
CID 173127472

Frequently Asked Questions

What is the IUPAC name of trimethyl(1-phosphoicos-4-enyl)azanium?
The IUPAC name of trimethyl(1-phosphoicos-4-enyl)azanium (CID 172996340) is trimethyl(1-phosphoicos-4-enyl)azanium.
What is the SMILES notation for trimethyl(1-phosphoicos-4-enyl)azanium?
The canonical SMILES for trimethyl(1-phosphoicos-4-enyl)azanium is CCCCCCCCCCCCCCCC=CCCC([P+](=O)[O-])[N+](C)(C)C.
What is the InChIKey of trimethyl(1-phosphoicos-4-enyl)azanium?
The InChIKey is ZVCDTVYHCQWVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H47NO2P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(27(25)26)24(2,3)4/h19-20,23H,5-18,21-22H2,1-4H3/q+1.
What are the key properties of trimethyl(1-phosphoicos-4-enyl)azanium?
trimethyl(1-phosphoicos-4-enyl)azanium has a molecular weight of 400.61 g/mol, XLogP of 6.94, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(1-phosphoicos-4-enyl)azanium is sourced from PubChem (CID 172996340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).