[(2R,3R,4S,5Z,8S,9R,10R,11S,12S,13Z)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-[(4-methoxyphenyl)methoxy]-2,4,6,8,10,12-hexamethylhexadeca-5,13,15-trienyl]-iodo-triphenyl-λ5-phosphane

C60H90IO4PSi2 — CID 59678386

About [(2R,3R,4S,5Z,8S,9R,10R,11S,12S,13Z)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-[(4-methoxyphenyl)methoxy]-2,4,6,8,10,12-hexamethylhexadeca-5,13,15-trienyl]-iodo-triphenyl-λ5-phosphane

[(2R,3R,4S,5Z,8S,9R,10R,11S,12S,13Z)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-[(4-methoxyphenyl)methoxy]-2,4,6,8,10,12-hexamethylhexadeca-5,13,15-trienyl]-iodo-triphenyl-λ5-phosphane (PubChem CID 59678386) has the molecular formula C60H90IO4PSi2 and a molecular weight of 1089.43 g/mol. Its IUPAC name is [(2R,3R,4S,5Z,8S,9R,10R,11S,12S,13Z)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-[(4-methoxyphenyl)methoxy]-2,4,6,8,10,12-hexamethylhexadeca-5,13,15-trienyl]-iodo-triphenyl-λ5-phosphane.

Molecular Properties

• Compound Name: [(2R,3R,4S,5Z,8S,9R,10R,11S,12S,13Z)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-[(4-methoxyphenyl)methoxy]-2,4,6,8,10,12-hexamethylhexadeca-5,13,15-trienyl]-iodo-triphenyl-λ5-phosphane
• PubChem CID: 59678386
• Molecular Formula: C60H90IO4PSi2
• Molecular Weight: 1089.43 g/mol
• Exact Mass: 1088.52
• IUPAC Name: [(2R,3R,4S,5Z,8S,9R,10R,11S,12S,13Z)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-[(4-methoxyphenyl)methoxy]-2,4,6,8,10,12-hexamethylhexadeca-5,13,15-trienyl]-iodo-triphenyl-λ5-phosphane
• SMILES: C=C/C=C\[C@H](C)[C@H](OCc1ccc(OC)cc1)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CP(I)(c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C60H90IO4PSi2/c1-19-20-30-46(3)57(63-43-51-37-39-52(62-14)40-38-51)50(7)58(65-68(17,18)60(11,12)13)48(5)42-45(2)41-47(4)56(64-67(15,16)59(8,9)10)49(6)44-66(61,53-31-24-21-25-32-53,54-33-26-22-27-34-54)55-35-28-23-29-36-55/h19-41,46-50,56-58H,1,42-44H2,2-18H3/b30-20-,45-41-/t46-,47-,48-,49-,50+,56+,57-,58+/m0/s1
• InChIKey: GFXOBKOZAQGWNM-GCDWKYNNSA-N
• XLogP: 16.50
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 24
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1089.43
LogP ≤ 5	16.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5Z,8S,9R,10R,11S,12S,13Z)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-[(4-methoxyphenyl)methoxy]-2,4,6,8,10,12-hexamethylhexadeca-5,13,15-trienyl]-iodo-triphenyl-λ5-phosphane?

The IUPAC name of [(2R,3R,4S,5Z,8S,9R,10R,11S,12S,13Z)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-[(4-methoxyphenyl)methoxy]-2,4,6,8,10,12-hexamethylhexadeca-5,13,15-trienyl]-iodo-triphenyl-λ5-phosphane (CID 59678386) is [(2R,3R,4S,5Z,8S,9R,10R,11S,12S,13Z)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-[(4-methoxyphenyl)methoxy]-2,4,6,8,10,12-hexamethylhexadeca-5,13,15-trienyl]-iodo-triphenyl-λ5-phosphane.

What is the SMILES notation for [(2R,3R,4S,5Z,8S,9R,10R,11S,12S,13Z)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-[(4-methoxyphenyl)methoxy]-2,4,6,8,10,12-hexamethylhexadeca-5,13,15-trienyl]-iodo-triphenyl-λ5-phosphane?

The canonical SMILES for [(2R,3R,4S,5Z,8S,9R,10R,11S,12S,13Z)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-[(4-methoxyphenyl)methoxy]-2,4,6,8,10,12-hexamethylhexadeca-5,13,15-trienyl]-iodo-triphenyl-λ5-phosphane is C=C/C=C\[C@H](C)[C@H](OCc1ccc(OC)cc1)[C@@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C/C(C)=C\[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)CP(I)(c1ccccc1)(c1ccccc1)c1ccccc1.

What is the InChIKey of [(2R,3R,4S,5Z,8S,9R,10R,11S,12S,13Z)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-[(4-methoxyphenyl)methoxy]-2,4,6,8,10,12-hexamethylhexadeca-5,13,15-trienyl]-iodo-triphenyl-λ5-phosphane?

The InChIKey is GFXOBKOZAQGWNM-GCDWKYNNSA-N. The full InChI is InChI=1S/C60H90IO4PSi2/c1-19-20-30-46(3)57(63-43-51-37-39-52(62-14)40-38-51)50(7)58(65-68(17,18)60(11,12)13)48(5)42-45(2)41-47(4)56(64-67(15,16)59(8,9)10)49(6)44-66(61,53-31-24-21-25-32-53,54-33-26-22-27-34-54)55-35-28-23-29-36-55/h19-41,46-50,56-58H,1,42-44H2,2-18H3/b30-20-,45-41-/t46-,47-,48-,49-,50+,56+,57-,58+/m0/s1.

What are the key properties of [(2R,3R,4S,5Z,8S,9R,10R,11S,12S,13Z)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-[(4-methoxyphenyl)methoxy]-2,4,6,8,10,12-hexamethylhexadeca-5,13,15-trienyl]-iodo-triphenyl-λ5-phosphane?

[(2R,3R,4S,5Z,8S,9R,10R,11S,12S,13Z)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-[(4-methoxyphenyl)methoxy]-2,4,6,8,10,12-hexamethylhexadeca-5,13,15-trienyl]-iodo-triphenyl-λ5-phosphane has a molecular weight of 1089.43 g/mol, XLogP of 16.50, 24 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4S,5Z,8S,9R,10R,11S,12S,13Z)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-11-[(4-methoxyphenyl)methoxy]-2,4,6,8,10,12-hexamethylhexadeca-5,13,15-trienyl]-iodo-triphenyl-λ5-phosphane is sourced from PubChem (CID 59678386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).