[(Z,2R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-2,4-dimethylhept-5-enyl]-triphenylphosphanium

C33H45IOPSi+ — CID 11158546

IUPAC[(Z,2R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-2,4-dimethylhept-5-enyl]-triphenylphosphanium
SMILESC/C(I)=C/[C@H](C)C(O[Si](C)(C)C(C)(C)C)[C@@H](C)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H45IOPSi/c1-26(24-28(3)34)32(35-37(7,8)33(4,5)6)27(2)25-36(29-18-12-9-13-19-29,30-20-14-10-15-21-30)31-22-16-11-17-23-31/h9-24,26-27,32H,25H2,1-8H3/q+1/b28-24-/t26-,27-,32?/m0/s1
InChIKeyTZXQXZPWUAFIPL-PEQLPZBUSA-N
MW643.69 g/mol
LogP8.98
Rot. Bonds10

About [(Z,2R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-2,4-dimethylhept-5-enyl]-triphenylphosphanium

[(Z,2R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-2,4-dimethylhept-5-enyl]-triphenylphosphanium (PubChem CID 11158546) has the molecular formula C33H45IOPSi+ and a molecular weight of 643.69 g/mol. Its IUPAC name is [(Z,2R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-2,4-dimethylhept-5-enyl]-triphenylphosphanium.

Molecular Properties

Compound Name[(Z,2R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-2,4-dimethylhept-5-enyl]-triphenylphosphanium
PubChem CID11158546
Molecular FormulaC33H45IOPSi+
Molecular Weight643.69 g/mol
Exact Mass643.20
IUPAC Name[(Z,2R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-2,4-dimethylhept-5-enyl]-triphenylphosphanium
SMILESC/C(I)=C/[C@H](C)C(O[Si](C)(C)C(C)(C)C)[C@@H](C)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C33H45IOPSi/c1-26(24-28(3)34)32(35-37(7,8)33(4,5)6)27(2)25-36(29-18-12-9-13-19-29,30-20-14-10-15-21-30)31-22-16-11-17-23-31/h9-24,26-27,32H,25H2,1-8H3/q+1/b28-24-/t26-,27-,32?/m0/s1
InChIKeyTZXQXZPWUAFIPL-PEQLPZBUSA-N
XLogP8.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.69
LogP ≤ 58.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylhept-5-enyl]-iodo-triphenyl-λ5-phosphane
CID 101266693
[(Z,2S,3S,4R,8R,9S,10S)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-10-[(2R,4R,5R)-2-(4-methoxyphenyl)-5-methyl-1,3-dioxan-4-yl]-2,4,6,8-tetramethylundec-5-enyl]-triphenylphosphanium iodide
CID 10909289
[(2S,3R,4R,5Z,8S,9R,10S,11R,12S,13Z)-9-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-11-(4-methoxyphenoxy)-2,4,6,8,10,12-hexamethylhexadeca-5,13,15-trienyl]-triphenylphosphanium iodide
CID 11787978
[(2R,3R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-phenylmethoxypentyl]-triphenylphosphanium
CID 11204825
(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-phenylmethoxypentanal
CID 15000627
[(Z,3S,4S)-3-hydroxy-6-iodo-4-methylhept-5-enyl]-triphenylphosphanium
CID 89073367
6-[(1Z,4S,5S,6Z,9S,10R,11R,12S,14Z)-10-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)-3,5,7,9,11,12,13-heptamethylheptadeca-1,6,14-trienyl]chromen-2-one;[(3R,4S,5Z,8S,9R,10R,11S,13Z)-9-[tert-butyl(dimethyl)silyl]oxy-3-(methoxymethoxy)-2,4,6,8,10,11,12-heptamethylhexadeca-5,13-dienyl]-triphenylphosphanium;iodide
CID 159909879
(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-7-oxo-9-phenylnonanal
CID 139258405
tert-butyl-[(E,3S)-1-[tert-butyl(dimethyl)silyl]oxy-5-iodohex-4-en-3-yl]oxy-diphenylsilane
CID 56931226
tert-butyl-dimethyl-[(2R)-1-phenylpropan-2-yl]oxysilane
CID 59920354
[(3S)-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutyl]-triphenylphosphanium
CID 11410748
[(9R)-9-[tert-butyl(dimethyl)silyl]oxy-10-phenylmethoxydecyl]-triphenylphosphanium iodide
CID 11228048

Frequently Asked Questions

What is the IUPAC name of [(Z,2R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-2,4-dimethylhept-5-enyl]-triphenylphosphanium?
The IUPAC name of [(Z,2R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-2,4-dimethylhept-5-enyl]-triphenylphosphanium (CID 11158546) is [(Z,2R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-2,4-dimethylhept-5-enyl]-triphenylphosphanium.
What is the SMILES notation for [(Z,2R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-2,4-dimethylhept-5-enyl]-triphenylphosphanium?
The canonical SMILES for [(Z,2R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-2,4-dimethylhept-5-enyl]-triphenylphosphanium is C/C(I)=C/[C@H](C)C(O[Si](C)(C)C(C)(C)C)[C@@H](C)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [(Z,2R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-2,4-dimethylhept-5-enyl]-triphenylphosphanium?
The InChIKey is TZXQXZPWUAFIPL-PEQLPZBUSA-N. The full InChI is InChI=1S/C33H45IOPSi/c1-26(24-28(3)34)32(35-37(7,8)33(4,5)6)27(2)25-36(29-18-12-9-13-19-29,30-20-14-10-15-21-30)31-22-16-11-17-23-31/h9-24,26-27,32H,25H2,1-8H3/q+1/b28-24-/t26-,27-,32?/m0/s1.
What are the key properties of [(Z,2R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-2,4-dimethylhept-5-enyl]-triphenylphosphanium?
[(Z,2R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-2,4-dimethylhept-5-enyl]-triphenylphosphanium has a molecular weight of 643.69 g/mol, XLogP of 8.98, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z,2R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-2,4-dimethylhept-5-enyl]-triphenylphosphanium is sourced from PubChem (CID 11158546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).