[(Z,3S,4S)-3-hydroxy-6-iodo-4-methylhept-5-enyl]-triphenylphosphanium

C26H29IOP+ — CID 89073367

IUPAC[(Z,3S,4S)-3-hydroxy-6-iodo-4-methylhept-5-enyl]-triphenylphosphanium
SMILESC/C(I)=C/[C@H](C)[C@@H](O)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H29IOP/c1-21(20-22(2)27)26(28)18-19-29(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h3-17,20-21,26,28H,18-19H2,1-2H3/q+1/b22-20-/t21-,26-/m0/s1
InChIKeyWAGXHLDZYZTQMR-PGQHJMINSA-N
MW515.40 g/mol
LogP5.71
Rot. Bonds8

About [(Z,3S,4S)-3-hydroxy-6-iodo-4-methylhept-5-enyl]-triphenylphosphanium

[(Z,3S,4S)-3-hydroxy-6-iodo-4-methylhept-5-enyl]-triphenylphosphanium (PubChem CID 89073367) has the molecular formula C26H29IOP+ and a molecular weight of 515.40 g/mol. Its IUPAC name is [(Z,3S,4S)-3-hydroxy-6-iodo-4-methylhept-5-enyl]-triphenylphosphanium.

Molecular Properties

Compound Name[(Z,3S,4S)-3-hydroxy-6-iodo-4-methylhept-5-enyl]-triphenylphosphanium
PubChem CID89073367
Molecular FormulaC26H29IOP+
Molecular Weight515.40 g/mol
Exact Mass515.10
IUPAC Name[(Z,3S,4S)-3-hydroxy-6-iodo-4-methylhept-5-enyl]-triphenylphosphanium
SMILESC/C(I)=C/[C@H](C)[C@@H](O)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H29IOP/c1-21(20-22(2)27)26(28)18-19-29(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h3-17,20-21,26,28H,18-19H2,1-2H3/q+1/b22-20-/t21-,26-/m0/s1
InChIKeyWAGXHLDZYZTQMR-PGQHJMINSA-N
XLogP5.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.40
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

palladium;triphenyl(2-triphenylphosphaniumylethyl)phosphanium
CID 87290696
triphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide
CID 2785215
[(2R)-2-hydroxypropyl]-triphenylphosphanium
CID 14895269
triphenyl-[(3R,7R)-3,7,11-trimethyldodecyl]phosphanium bromide
CID 10840468
(5-carboxy-3,4-dimethylpentyl)-triphenylphosphanium
CID 86733262
triphenyl(2-triphenylphosphaniumylethyl)phosphanium diperiodate
CID 139080930
[(Z,2R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-2,4-dimethylhept-5-enyl]-triphenylphosphanium
CID 11158546
2-hydroxyethyl(triphenyl)phosphanium bromide
CID 2733550
triphenyl(propyl)phosphanium;hydrochloride
CID 118516578
bis(2-(dimethylamino)ethyl-triphenylphosphanium) diacetate
CID 173362420
3-methyl-5-triphenylphosphaniumylpentanoate
CID 172859612
3,3-dimethoxypropyl(triphenyl)phosphanium
CID 10621039

Frequently Asked Questions

What is the IUPAC name of [(Z,3S,4S)-3-hydroxy-6-iodo-4-methylhept-5-enyl]-triphenylphosphanium?
The IUPAC name of [(Z,3S,4S)-3-hydroxy-6-iodo-4-methylhept-5-enyl]-triphenylphosphanium (CID 89073367) is [(Z,3S,4S)-3-hydroxy-6-iodo-4-methylhept-5-enyl]-triphenylphosphanium.
What is the SMILES notation for [(Z,3S,4S)-3-hydroxy-6-iodo-4-methylhept-5-enyl]-triphenylphosphanium?
The canonical SMILES for [(Z,3S,4S)-3-hydroxy-6-iodo-4-methylhept-5-enyl]-triphenylphosphanium is C/C(I)=C/[C@H](C)[C@@H](O)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(Z,3S,4S)-3-hydroxy-6-iodo-4-methylhept-5-enyl]-triphenylphosphanium?
The InChIKey is WAGXHLDZYZTQMR-PGQHJMINSA-N. The full InChI is InChI=1S/C26H29IOP/c1-21(20-22(2)27)26(28)18-19-29(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h3-17,20-21,26,28H,18-19H2,1-2H3/q+1/b22-20-/t21-,26-/m0/s1.
What are the key properties of [(Z,3S,4S)-3-hydroxy-6-iodo-4-methylhept-5-enyl]-triphenylphosphanium?
[(Z,3S,4S)-3-hydroxy-6-iodo-4-methylhept-5-enyl]-triphenylphosphanium has a molecular weight of 515.40 g/mol, XLogP of 5.71, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,3S,4S)-3-hydroxy-6-iodo-4-methylhept-5-enyl]-triphenylphosphanium is sourced from PubChem (CID 89073367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).