[(Z)-11,11-dipentoxyundec-4-enyl]-trimethylphosphanium iodide

C24H50IO2P — CID 175312569

IUPAC[(Z)-11,11-dipentoxyundec-4-enyl]-trimethylphosphanium iodide
SMILESCCCCCOC(CCCCC/C=C\CCC[P+](C)(C)C)OCCCCC.[I-]
InChIInChI=1S/C24H50O2P.HI/c1-6-8-17-21-25-24(26-22-18-9-7-2)20-16-14-12-10-11-13-15-19-23-27(3,4)5;/h11,13,24H,6-10,12,14-23H2,1-5H3;1H/q+1;/p-1/b13-11-;
InChIKeyWCNZXTCRCCYXRB-KEHAOADBSA-M
MW528.54 g/mol
LogP4.92
Rot. Bonds20

About [(Z)-11,11-dipentoxyundec-4-enyl]-trimethylphosphanium iodide

[(Z)-11,11-dipentoxyundec-4-enyl]-trimethylphosphanium iodide (PubChem CID 175312569) has the molecular formula C24H50IO2P and a molecular weight of 528.54 g/mol. Its IUPAC name is [(Z)-11,11-dipentoxyundec-4-enyl]-trimethylphosphanium iodide.

Molecular Properties

Compound Name[(Z)-11,11-dipentoxyundec-4-enyl]-trimethylphosphanium iodide
PubChem CID175312569
Molecular FormulaC24H50IO2P
Molecular Weight528.54 g/mol
Exact Mass528.26
IUPAC Name[(Z)-11,11-dipentoxyundec-4-enyl]-trimethylphosphanium iodide
SMILESCCCCCOC(CCCCC/C=C\CCC[P+](C)(C)C)OCCCCC.[I-]
InChIInChI=1S/C24H50O2P.HI/c1-6-8-17-21-25-24(26-22-18-9-7-2)20-16-14-12-10-11-13-15-19-23-27(3,4)5;/h11,13,24H,6-10,12,14-23H2,1-5H3;1H/q+1;/p-1/b13-11-;
InChIKeyWCNZXTCRCCYXRB-KEHAOADBSA-M
XLogP4.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.54
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(3E,5Z,9Z)-16,16-dioctoxyhexadeca-3,5,9-triene
CID 165377062
(Z)-13,13-diheptoxytridec-3-en-1-ol
CID 163205318
(Z)-12,12-didecoxy-1-iodododec-3-ene
CID 163205869
(Z)-1-chloro-14,14-dioctoxytetradec-3-ene
CID 163205372
(Z)-13,13-dihexoxytridec-3-en-1-ol
CID 163205677
(Z)-1-chloro-11,11-dioctoxyundec-4-ene
CID 165175011
(Z)-1-bromo-12,12-di(nonoxy)dodec-3-ene
CID 163205524
(Z)-1-chloro-12,12-dihexoxydodec-3-ene
CID 163205362
(5Z,7E)-1,1-diheptoxydodeca-5,7-diene
CID 170561608
(Z)-11,11-dibutoxyundec-3-en-1-ol
CID 163205863
(Z)-18,18-dibutoxyoctadec-3-en-1-ol
CID 163205378
1-hexoxy-1-[1-hexoxy-15,15-di(nonoxy)pentadec-2-enoxy]-15,15-di(nonoxy)pentadec-2-ene
CID 163287991

Frequently Asked Questions

What is the IUPAC name of [(Z)-11,11-dipentoxyundec-4-enyl]-trimethylphosphanium iodide?
The IUPAC name of [(Z)-11,11-dipentoxyundec-4-enyl]-trimethylphosphanium iodide (CID 175312569) is [(Z)-11,11-dipentoxyundec-4-enyl]-trimethylphosphanium iodide.
What is the SMILES notation for [(Z)-11,11-dipentoxyundec-4-enyl]-trimethylphosphanium iodide?
The canonical SMILES for [(Z)-11,11-dipentoxyundec-4-enyl]-trimethylphosphanium iodide is CCCCCOC(CCCCC/C=C\CCC[P+](C)(C)C)OCCCCC.[I-].
What is the InChIKey of [(Z)-11,11-dipentoxyundec-4-enyl]-trimethylphosphanium iodide?
The InChIKey is WCNZXTCRCCYXRB-KEHAOADBSA-M. The full InChI is InChI=1S/C24H50O2P.HI/c1-6-8-17-21-25-24(26-22-18-9-7-2)20-16-14-12-10-11-13-15-19-23-27(3,4)5;/h11,13,24H,6-10,12,14-23H2,1-5H3;1H/q+1;/p-1/b13-11-;.
What are the key properties of [(Z)-11,11-dipentoxyundec-4-enyl]-trimethylphosphanium iodide?
[(Z)-11,11-dipentoxyundec-4-enyl]-trimethylphosphanium iodide has a molecular weight of 528.54 g/mol, XLogP of 4.92, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-11,11-dipentoxyundec-4-enyl]-trimethylphosphanium iodide is sourced from PubChem (CID 175312569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).