[(9S,10S)-9-(methoxymethoxy)-10-methyldodec-11-enyl]-triphenylphosphanium

C33H44O2P+ — CID 11017336

IUPAC[(9S,10S)-9-(methoxymethoxy)-10-methyldodec-11-enyl]-triphenylphosphanium
SMILESC=C[C@H](C)[C@H](CCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)OCOC
InChIInChI=1S/C33H44O2P/c1-4-29(2)33(35-28-34-3)26-18-7-5-6-8-19-27-36(30-20-12-9-13-21-30,31-22-14-10-15-23-31)32-24-16-11-17-25-32/h4,9-17,20-25,29,33H,1,5-8,18-19,26-28H2,2-3H3/q+1/t29-,33-/m0/s1
InChIKeyAQMFMEZQGHZZGU-ZQAZVOLISA-N
MW503.69 g/mol
LogP7.52
Rot. Bonds17

About [(9S,10S)-9-(methoxymethoxy)-10-methyldodec-11-enyl]-triphenylphosphanium

[(9S,10S)-9-(methoxymethoxy)-10-methyldodec-11-enyl]-triphenylphosphanium (PubChem CID 11017336) has the molecular formula C33H44O2P+ and a molecular weight of 503.69 g/mol. Its IUPAC name is [(9S,10S)-9-(methoxymethoxy)-10-methyldodec-11-enyl]-triphenylphosphanium.

Molecular Properties

Compound Name[(9S,10S)-9-(methoxymethoxy)-10-methyldodec-11-enyl]-triphenylphosphanium
PubChem CID11017336
Molecular FormulaC33H44O2P+
Molecular Weight503.69 g/mol
Exact Mass503.31
IUPAC Name[(9S,10S)-9-(methoxymethoxy)-10-methyldodec-11-enyl]-triphenylphosphanium
SMILESC=C[C@H](C)[C@H](CCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)OCOC
InChIInChI=1S/C33H44O2P/c1-4-29(2)33(35-28-34-3)26-18-7-5-6-8-19-27-36(30-20-12-9-13-21-30,31-22-14-10-15-23-31)32-24-16-11-17-25-32/h4,9-17,20-25,29,33H,1,5-8,18-19,26-28H2,2-3H3/q+1/t29-,33-/m0/s1
InChIKeyAQMFMEZQGHZZGU-ZQAZVOLISA-N
XLogP7.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.69
LogP ≤ 57.52
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4-methoxybutyl(triphenyl)phosphanium
CID 86618875
triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide
CID 19082496
triphenyl(undec-10-enyl)phosphanium
CID 3716115
13,13-diethoxytridecyl(triphenyl)phosphanium
CID 156628251
5-(1-ethoxyethoxy)pentyl-triphenylphosphanium
CID 71386152
oct-7-enyl(triphenyl)phosphanium bromide
CID 22627871
[(2S)-2-methylbut-3-enyl]-triphenylphosphanium
CID 10904649
5,5-diethoxypentyl(triphenyl)phosphanium
CID 156628237
hexyl(triphenyl)phosphanium
CID 2724570
6-phenoxyhexyl(triphenyl)phosphanium
CID 71515133
[(6E,12E)-nonadeca-6,12,18-trienyl]-triphenylphosphanium
CID 101375603
5-methoxyheptyl(triphenyl)phosphanium
CID 86248653

Frequently Asked Questions

What is the IUPAC name of [(9S,10S)-9-(methoxymethoxy)-10-methyldodec-11-enyl]-triphenylphosphanium?
The IUPAC name of [(9S,10S)-9-(methoxymethoxy)-10-methyldodec-11-enyl]-triphenylphosphanium (CID 11017336) is [(9S,10S)-9-(methoxymethoxy)-10-methyldodec-11-enyl]-triphenylphosphanium.
What is the SMILES notation for [(9S,10S)-9-(methoxymethoxy)-10-methyldodec-11-enyl]-triphenylphosphanium?
The canonical SMILES for [(9S,10S)-9-(methoxymethoxy)-10-methyldodec-11-enyl]-triphenylphosphanium is C=C[C@H](C)[C@H](CCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)OCOC.
What is the InChIKey of [(9S,10S)-9-(methoxymethoxy)-10-methyldodec-11-enyl]-triphenylphosphanium?
The InChIKey is AQMFMEZQGHZZGU-ZQAZVOLISA-N. The full InChI is InChI=1S/C33H44O2P/c1-4-29(2)33(35-28-34-3)26-18-7-5-6-8-19-27-36(30-20-12-9-13-21-30,31-22-14-10-15-23-31)32-24-16-11-17-25-32/h4,9-17,20-25,29,33H,1,5-8,18-19,26-28H2,2-3H3/q+1/t29-,33-/m0/s1.
What are the key properties of [(9S,10S)-9-(methoxymethoxy)-10-methyldodec-11-enyl]-triphenylphosphanium?
[(9S,10S)-9-(methoxymethoxy)-10-methyldodec-11-enyl]-triphenylphosphanium has a molecular weight of 503.69 g/mol, XLogP of 7.52, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(9S,10S)-9-(methoxymethoxy)-10-methyldodec-11-enyl]-triphenylphosphanium is sourced from PubChem (CID 11017336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).