[(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;tert-butyl-[(3Z,5S,6S,7R,8R,9S,11Z,13S,14R,15R)-14-[tert-butyl(dimethyl)silyl]oxy-16-iodo-6-[(4-methoxyphenyl)methoxy]-5,7,9,11,13,15-hexamethylhexadeca-1,3,11-trien-8-yl]oxy-dimethylsilane;tert-butyl-[(1S,2S,3Z,5S)-3-(3,3-dimethylbutan-2-ylidene)-2,5-dimethylcyclopentyl]oxy-dimethylsilane;tert-butyl-[(1S,2S,5S)-3-(3,3-dimethylbut-1-en-2-yl)-2,5-dimethylcyclopentyl]oxy-dimethylsilane;methane

C141H245I2O10PSi6 — CID 159049217

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;tert-butyl-[(3Z,5S,6S,7R,8R,9S,11Z,13S,14R,15R)-14-[tert-butyl(dimethyl)silyl]oxy-16-iodo-6-[(4-methoxyphenyl)methoxy]-5,7,9,11,13,15-hexamethylhexadeca-1,3,11-trien-8-yl]oxy-dimethylsilane;tert-butyl-[(1S,2S,3Z,5S)-3-(3,3-dimethylbutan-2-ylidene)-2,5-dimethylcyclopentyl]oxy-dimethylsilane;tert-butyl-[(1S,2S,5S)-3-(3,3-dimethylbut-1-en-2-yl)-2,5-dimethylcyclopentyl]oxy-dimethylsilane;methane

[(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;tert-butyl-[(3Z,5S,6S,7R,8R,9S,11Z,13S,14R,15R)-14-[tert-butyl(dimethyl)silyl]oxy-16-iodo-6-[(4-methoxyphenyl)methoxy]-5,7,9,11,13,15-hexamethylhexadeca-1,3,11-trien-8-yl]oxy-dimethylsilane;tert-butyl-[(1S,2S,3Z,5S)-3-(3,3-dimethylbutan-2-ylidene)-2,5-dimethylcyclopentyl]oxy-dimethylsilane;tert-butyl-[(1S,2S,5S)-3-(3,3-dimethylbut-1-en-2-yl)-2,5-dimethylcyclopentyl]oxy-dimethylsilane;methane (PubChem CID 159049217) has the molecular formula C141H245I2O10PSi6 and a molecular weight of 2553.80 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;tert-butyl-[(3Z,5S,6S,7R,8R,9S,11Z,13S,14R,15R)-14-[tert-butyl(dimethyl)silyl]oxy-16-iodo-6-[(4-methoxyphenyl)methoxy]-5,7,9,11,13,15-hexamethylhexadeca-1,3,11-trien-8-yl]oxy-dimethylsilane;tert-butyl-[(1S,2S,3Z,5S)-3-(3,3-dimethylbutan-2-ylidene)-2,5-dimethylcyclopentyl]oxy-dimethylsilane;tert-butyl-[(1S,2S,5S)-3-(3,3-dimethylbut-1-en-2-yl)-2,5-dimethylcyclopentyl]oxy-dimethylsilane;methane.

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;tert-butyl-[(3Z,5S,6S,7R,8R,9S,11Z,13S,14R,15R)-14-[tert-butyl(dimethyl)silyl]oxy-16-iodo-6-[(4-methoxyphenyl)methoxy]-5,7,9,11,13,15-hexamethylhexadeca-1,3,11-trien-8-yl]oxy-dimethylsilane;tert-butyl-[(1S,2S,3Z,5S)-3-(3,3-dimethylbutan-2-ylidene)-2,5-dimethylcyclopentyl]oxy-dimethylsilane;tert-butyl-[(1S,2S,5S)-3-(3,3-dimethylbut-1-en-2-yl)-2,5-dimethylcyclopentyl]oxy-dimethylsilane;methane
• PubChem CID: 159049217
• Molecular Formula: C141H245I2O10PSi6
• Molecular Weight: 2553.80 g/mol
• Exact Mass: 2551.51
• 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;tert-butyl-[(3Z,5S,6S,7R,8R,9S,11Z,13S,14R,15R)-14-[tert-butyl(dimethyl)silyl]oxy-16-iodo-6-[(4-methoxyphenyl)methoxy]-5,7,9,11,13,15-hexamethylhexadeca-1,3,11-trien-8-yl]oxy-dimethylsilane;tert-butyl-[(1S,2S,3Z,5S)-3-(3,3-dimethylbutan-2-ylidene)-2,5-dimethylcyclopentyl]oxy-dimethylsilane;tert-butyl-[(1S,2S,5S)-3-(3,3-dimethylbut-1-en-2-yl)-2,5-dimethylcyclopentyl]oxy-dimethylsilane;methane
• SMILES: C.C/C(=C1\C[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C)C(C)(C)C.C=C(C1C[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C)C(C)(C)C.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)CI.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.C42H75IO4Si2.2C19H38OSi.CH4/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;1-19-20-21-31(3)39(45-29-36-22-24-37(44-14)25-23-36)35(7)40(47-49(17,18)42(11,12)13)33(5)27-30(2)26-32(4)38(34(6)28-43)46-48(15,16)41(8,9)10;2*1-13-12-16(15(3)18(4,5)6)14(2)17(13)20-21(10,11)19(7,8)9;/h19-41,46-50,56-58H,1,42-44H2,2-18H3;19-26,31-35,38-40H,1,27-29H2,2-18H3;13-14,17H,12H2,1-11H3;13-14,16-17H,3,12H2,1-2,4-11H3;1H4/b30-20-,45-41-;21-20-,30-26-;16-15-;;/t46-,47-,48-,49-,50+,56+,57-,58+;31-,32-,33-,34-,35+,38+,39-,40+;13-,14-,17-;13-,14-,16?,17-;/m0000./s1
• InChIKey: JXAXMBXMCSRMEB-CGEGEOLRSA-N
• XLogP: 42.88
• TPSA: 92.30 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 49
• Heavy Atoms: 160
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2553.80
LogP ≤ 5	42.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'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'}

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;tert-butyl-[(3Z,5S,6S,7R,8R,9S,11Z,13S,14R,15R)-14-[tert-butyl(dimethyl)silyl]oxy-16-iodo-6-[(4-methoxyphenyl)methoxy]-5,7,9,11,13,15-hexamethylhexadeca-1,3,11-trien-8-yl]oxy-dimethylsilane;tert-butyl-[(1S,2S,3Z,5S)-3-(3,3-dimethylbutan-2-ylidene)-2,5-dimethylcyclopentyl]oxy-dimethylsilane;tert-butyl-[(1S,2S,5S)-3-(3,3-dimethylbut-1-en-2-yl)-2,5-dimethylcyclopentyl]oxy-dimethylsilane;methane?

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;tert-butyl-[(3Z,5S,6S,7R,8R,9S,11Z,13S,14R,15R)-14-[tert-butyl(dimethyl)silyl]oxy-16-iodo-6-[(4-methoxyphenyl)methoxy]-5,7,9,11,13,15-hexamethylhexadeca-1,3,11-trien-8-yl]oxy-dimethylsilane;tert-butyl-[(1S,2S,3Z,5S)-3-(3,3-dimethylbutan-2-ylidene)-2,5-dimethylcyclopentyl]oxy-dimethylsilane;tert-butyl-[(1S,2S,5S)-3-(3,3-dimethylbut-1-en-2-yl)-2,5-dimethylcyclopentyl]oxy-dimethylsilane;methane (CID 159049217) 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;tert-butyl-[(3Z,5S,6S,7R,8R,9S,11Z,13S,14R,15R)-14-[tert-butyl(dimethyl)silyl]oxy-16-iodo-6-[(4-methoxyphenyl)methoxy]-5,7,9,11,13,15-hexamethylhexadeca-1,3,11-trien-8-yl]oxy-dimethylsilane;tert-butyl-[(1S,2S,3Z,5S)-3-(3,3-dimethylbutan-2-ylidene)-2,5-dimethylcyclopentyl]oxy-dimethylsilane;tert-butyl-[(1S,2S,5S)-3-(3,3-dimethylbut-1-en-2-yl)-2,5-dimethylcyclopentyl]oxy-dimethylsilane;methane.

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;tert-butyl-[(3Z,5S,6S,7R,8R,9S,11Z,13S,14R,15R)-14-[tert-butyl(dimethyl)silyl]oxy-16-iodo-6-[(4-methoxyphenyl)methoxy]-5,7,9,11,13,15-hexamethylhexadeca-1,3,11-trien-8-yl]oxy-dimethylsilane;tert-butyl-[(1S,2S,3Z,5S)-3-(3,3-dimethylbutan-2-ylidene)-2,5-dimethylcyclopentyl]oxy-dimethylsilane;tert-butyl-[(1S,2S,5S)-3-(3,3-dimethylbut-1-en-2-yl)-2,5-dimethylcyclopentyl]oxy-dimethylsilane;methane?

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;tert-butyl-[(3Z,5S,6S,7R,8R,9S,11Z,13S,14R,15R)-14-[tert-butyl(dimethyl)silyl]oxy-16-iodo-6-[(4-methoxyphenyl)methoxy]-5,7,9,11,13,15-hexamethylhexadeca-1,3,11-trien-8-yl]oxy-dimethylsilane;tert-butyl-[(1S,2S,3Z,5S)-3-(3,3-dimethylbutan-2-ylidene)-2,5-dimethylcyclopentyl]oxy-dimethylsilane;tert-butyl-[(1S,2S,5S)-3-(3,3-dimethylbut-1-en-2-yl)-2,5-dimethylcyclopentyl]oxy-dimethylsilane;methane is C.C/C(=C1\C[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C)C(C)(C)C.C=C(C1C[C@H](C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1C)C(C)(C)C.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)CI.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;tert-butyl-[(3Z,5S,6S,7R,8R,9S,11Z,13S,14R,15R)-14-[tert-butyl(dimethyl)silyl]oxy-16-iodo-6-[(4-methoxyphenyl)methoxy]-5,7,9,11,13,15-hexamethylhexadeca-1,3,11-trien-8-yl]oxy-dimethylsilane;tert-butyl-[(1S,2S,3Z,5S)-3-(3,3-dimethylbutan-2-ylidene)-2,5-dimethylcyclopentyl]oxy-dimethylsilane;tert-butyl-[(1S,2S,5S)-3-(3,3-dimethylbut-1-en-2-yl)-2,5-dimethylcyclopentyl]oxy-dimethylsilane;methane?

The InChIKey is JXAXMBXMCSRMEB-CGEGEOLRSA-N. The full InChI is InChI=1S/C60H90IO4PSi2.C42H75IO4Si2.2C19H38OSi.CH4/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;1-19-20-21-31(3)39(45-29-36-22-24-37(44-14)25-23-36)35(7)40(47-49(17,18)42(11,12)13)33(5)27-30(2)26-32(4)38(34(6)28-43)46-48(15,16)41(8,9)10;2*1-13-12-16(15(3)18(4,5)6)14(2)17(13)20-21(10,11)19(7,8)9;/h19-41,46-50,56-58H,1,42-44H2,2-18H3;19-26,31-35,38-40H,1,27-29H2,2-18H3;13-14,17H,12H2,1-11H3;13-14,16-17H,3,12H2,1-2,4-11H3;1H4/b30-20-,45-41-;21-20-,30-26-;16-15-;;/t46-,47-,48-,49-,50+,56+,57-,58+;31-,32-,33-,34-,35+,38+,39-,40+;13-,14-,17-;13-,14-,16?,17-;/m0000./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;tert-butyl-[(3Z,5S,6S,7R,8R,9S,11Z,13S,14R,15R)-14-[tert-butyl(dimethyl)silyl]oxy-16-iodo-6-[(4-methoxyphenyl)methoxy]-5,7,9,11,13,15-hexamethylhexadeca-1,3,11-trien-8-yl]oxy-dimethylsilane;tert-butyl-[(1S,2S,3Z,5S)-3-(3,3-dimethylbutan-2-ylidene)-2,5-dimethylcyclopentyl]oxy-dimethylsilane;tert-butyl-[(1S,2S,5S)-3-(3,3-dimethylbut-1-en-2-yl)-2,5-dimethylcyclopentyl]oxy-dimethylsilane;methane?

[(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;tert-butyl-[(3Z,5S,6S,7R,8R,9S,11Z,13S,14R,15R)-14-[tert-butyl(dimethyl)silyl]oxy-16-iodo-6-[(4-methoxyphenyl)methoxy]-5,7,9,11,13,15-hexamethylhexadeca-1,3,11-trien-8-yl]oxy-dimethylsilane;tert-butyl-[(1S,2S,3Z,5S)-3-(3,3-dimethylbutan-2-ylidene)-2,5-dimethylcyclopentyl]oxy-dimethylsilane;tert-butyl-[(1S,2S,5S)-3-(3,3-dimethylbut-1-en-2-yl)-2,5-dimethylcyclopentyl]oxy-dimethylsilane;methane has a molecular weight of 2553.80 g/mol, XLogP of 42.88, 49 rotatable bonds, 0 hydrogen bond donors, and 10 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;tert-butyl-[(3Z,5S,6S,7R,8R,9S,11Z,13S,14R,15R)-14-[tert-butyl(dimethyl)silyl]oxy-16-iodo-6-[(4-methoxyphenyl)methoxy]-5,7,9,11,13,15-hexamethylhexadeca-1,3,11-trien-8-yl]oxy-dimethylsilane;tert-butyl-[(1S,2S,3Z,5S)-3-(3,3-dimethylbutan-2-ylidene)-2,5-dimethylcyclopentyl]oxy-dimethylsilane;tert-butyl-[(1S,2S,5S)-3-(3,3-dimethylbut-1-en-2-yl)-2,5-dimethylcyclopentyl]oxy-dimethylsilane;methane is sourced from PubChem (CID 159049217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).