trimethyl-[(15E)-octadeca-15,17-dienyl]phosphanium

C21H42P+ — CID 101109490

IUPACtrimethyl-[(15E)-octadeca-15,17-dienyl]phosphanium
SMILESC=C/C=C/CCCCCCCCCCCCCC[P+](C)(C)C
InChIInChI=1S/C21H42P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4/h5-7H,1,8-21H2,2-4H3/q+1/b7-6+
InChIKeyHDFLFKSGDVJAID-VOTSOKGWSA-N
MW325.54 g/mol
LogP7.71
Rot. Bonds16

About trimethyl-[(15E)-octadeca-15,17-dienyl]phosphanium

trimethyl-[(15E)-octadeca-15,17-dienyl]phosphanium (PubChem CID 101109490) has the molecular formula C21H42P+ and a molecular weight of 325.54 g/mol. Its IUPAC name is trimethyl-[(15E)-octadeca-15,17-dienyl]phosphanium.

Molecular Properties

Compound Nametrimethyl-[(15E)-octadeca-15,17-dienyl]phosphanium
PubChem CID101109490
Molecular FormulaC21H42P+
Molecular Weight325.54 g/mol
Exact Mass325.30
IUPAC Nametrimethyl-[(15E)-octadeca-15,17-dienyl]phosphanium
SMILESC=C/C=C/CCCCCCCCCCCCCC[P+](C)(C)C
InChIInChI=1S/C21H42P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4/h5-7H,1,8-21H2,2-4H3/q+1/b7-6+
InChIKeyHDFLFKSGDVJAID-VOTSOKGWSA-N
XLogP7.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.54
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

11-methyldodeca-1,3-diene
CID 154156925
pentadeca-1,3,12-triene
CID 174048351
heptadeca-1,3,14-triene
CID 54251685
11-ethyltrideca-1,3-diene
CID 163546682
(3E)-17,17-dimethoxyheptadeca-1,3-diene
CID 163205429
(3Z)-10,10-dimethoxydeca-1,3-diene
CID 163205940
(3E)-13,13-dimethoxytrideca-1,3-diene
CID 13111838
(3Z)-heptadeca-1,3,9-triene
CID 175589298
(15E)-octadeca-15,17-dien-6-amine
CID 142684215
(15E)-octadeca-15,17-dien-9-amine
CID 87547455
(3Z,5Z)-10-methylundeca-1,3,5-triene
CID 172592862
hexadeca-1,3,8-triene
CID 174048674

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(15E)-octadeca-15,17-dienyl]phosphanium?
The IUPAC name of trimethyl-[(15E)-octadeca-15,17-dienyl]phosphanium (CID 101109490) is trimethyl-[(15E)-octadeca-15,17-dienyl]phosphanium.
What is the SMILES notation for trimethyl-[(15E)-octadeca-15,17-dienyl]phosphanium?
The canonical SMILES for trimethyl-[(15E)-octadeca-15,17-dienyl]phosphanium is C=C/C=C/CCCCCCCCCCCCCC[P+](C)(C)C.
What is the InChIKey of trimethyl-[(15E)-octadeca-15,17-dienyl]phosphanium?
The InChIKey is HDFLFKSGDVJAID-VOTSOKGWSA-N. The full InChI is InChI=1S/C21H42P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4/h5-7H,1,8-21H2,2-4H3/q+1/b7-6+.
What are the key properties of trimethyl-[(15E)-octadeca-15,17-dienyl]phosphanium?
trimethyl-[(15E)-octadeca-15,17-dienyl]phosphanium has a molecular weight of 325.54 g/mol, XLogP of 7.71, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(15E)-octadeca-15,17-dienyl]phosphanium is sourced from PubChem (CID 101109490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).