[(1S,2R,3Z,6R,7S,8S,9R,10S)-1-[(Z,2R)-4-iodobut-3-en-2-yl]-9-(methoxymethoxy)-2,4,6,8,10-pentamethyl-11-trimethylsilyloxy-7-tri(propan-2-yl)silyloxytetradeca-3,13-dienoxy]-tri(propan-2-yl)silane

C46H93IO5Si3 — CID 10677302

About [(1S,2R,3Z,6R,7S,8S,9R,10S)-1-[(Z,2R)-4-iodobut-3-en-2-yl]-9-(methoxymethoxy)-2,4,6,8,10-pentamethyl-11-trimethylsilyloxy-7-tri(propan-2-yl)silyloxytetradeca-3,13-dienoxy]-tri(propan-2-yl)silane

[(1S,2R,3Z,6R,7S,8S,9R,10S)-1-[(Z,2R)-4-iodobut-3-en-2-yl]-9-(methoxymethoxy)-2,4,6,8,10-pentamethyl-11-trimethylsilyloxy-7-tri(propan-2-yl)silyloxytetradeca-3,13-dienoxy]-tri(propan-2-yl)silane (PubChem CID 10677302) has the molecular formula C46H93IO5Si3 and a molecular weight of 937.41 g/mol. Its IUPAC name is [(1S,2R,3Z,6R,7S,8S,9R,10S)-1-[(Z,2R)-4-iodobut-3-en-2-yl]-9-(methoxymethoxy)-2,4,6,8,10-pentamethyl-11-trimethylsilyloxy-7-tri(propan-2-yl)silyloxytetradeca-3,13-dienoxy]-tri(propan-2-yl)silane.

Molecular Properties

• Compound Name: [(1S,2R,3Z,6R,7S,8S,9R,10S)-1-[(Z,2R)-4-iodobut-3-en-2-yl]-9-(methoxymethoxy)-2,4,6,8,10-pentamethyl-11-trimethylsilyloxy-7-tri(propan-2-yl)silyloxytetradeca-3,13-dienoxy]-tri(propan-2-yl)silane
• PubChem CID: 10677302
• Molecular Formula: C46H93IO5Si3
• Molecular Weight: 937.41 g/mol
• Exact Mass: 936.54
• IUPAC Name: [(1S,2R,3Z,6R,7S,8S,9R,10S)-1-[(Z,2R)-4-iodobut-3-en-2-yl]-9-(methoxymethoxy)-2,4,6,8,10-pentamethyl-11-trimethylsilyloxy-7-tri(propan-2-yl)silyloxytetradeca-3,13-dienoxy]-tri(propan-2-yl)silane
• SMILES: C=CCC(O[Si](C)(C)C)[C@@H](C)[C@@H](OCOC)[C@H](C)[C@@H](O[Si](C(C)C)(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(C)C)[C@H](C)/C=C\I
• InChI: InChI=1S/C46H93IO5Si3/c1-24-25-43(50-53(21,22)23)41(18)46(49-30-48-20)42(19)45(52-55(34(8)9,35(10)11)36(12)13)40(17)29-37(14)28-39(16)44(38(15)26-27-47)51-54(31(2)3,32(4)5)33(6)7/h24,26-28,31-36,38-46H,1,25,29-30H2,2-23H3/b27-26-,37-28-/t38-,39-,40-,41-,42-,43?,44-,45+,46-/m1/s1
• InChIKey: WHKGRKXKVYROIH-COJDFUHQSA-N
• XLogP: 15.36
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 28
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	937.41
LogP ≤ 5	15.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(1S,2R,3Z,6R,7S,8S,9R,10S)-1-[(Z,2R)-4-iodobut-3-en-2-yl]-9-(methoxymethoxy)-2,4,6,8,10-pentamethyl-11-trimethylsilyloxy-7-tri(propan-2-yl)silyloxytetradeca-3,13-dienoxy]-tri(propan-2-yl)silane?

The IUPAC name of [(1S,2R,3Z,6R,7S,8S,9R,10S)-1-[(Z,2R)-4-iodobut-3-en-2-yl]-9-(methoxymethoxy)-2,4,6,8,10-pentamethyl-11-trimethylsilyloxy-7-tri(propan-2-yl)silyloxytetradeca-3,13-dienoxy]-tri(propan-2-yl)silane (CID 10677302) is [(1S,2R,3Z,6R,7S,8S,9R,10S)-1-[(Z,2R)-4-iodobut-3-en-2-yl]-9-(methoxymethoxy)-2,4,6,8,10-pentamethyl-11-trimethylsilyloxy-7-tri(propan-2-yl)silyloxytetradeca-3,13-dienoxy]-tri(propan-2-yl)silane.

What is the SMILES notation for [(1S,2R,3Z,6R,7S,8S,9R,10S)-1-[(Z,2R)-4-iodobut-3-en-2-yl]-9-(methoxymethoxy)-2,4,6,8,10-pentamethyl-11-trimethylsilyloxy-7-tri(propan-2-yl)silyloxytetradeca-3,13-dienoxy]-tri(propan-2-yl)silane?

The canonical SMILES for [(1S,2R,3Z,6R,7S,8S,9R,10S)-1-[(Z,2R)-4-iodobut-3-en-2-yl]-9-(methoxymethoxy)-2,4,6,8,10-pentamethyl-11-trimethylsilyloxy-7-tri(propan-2-yl)silyloxytetradeca-3,13-dienoxy]-tri(propan-2-yl)silane is C=CCC(O[Si](C)(C)C)[C@@H](C)[C@@H](OCOC)[C@H](C)[C@@H](O[Si](C(C)C)(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(C)C)[C@H](C)/C=C\I.

What is the InChIKey of [(1S,2R,3Z,6R,7S,8S,9R,10S)-1-[(Z,2R)-4-iodobut-3-en-2-yl]-9-(methoxymethoxy)-2,4,6,8,10-pentamethyl-11-trimethylsilyloxy-7-tri(propan-2-yl)silyloxytetradeca-3,13-dienoxy]-tri(propan-2-yl)silane?

The InChIKey is WHKGRKXKVYROIH-COJDFUHQSA-N. The full InChI is InChI=1S/C46H93IO5Si3/c1-24-25-43(50-53(21,22)23)41(18)46(49-30-48-20)42(19)45(52-55(34(8)9,35(10)11)36(12)13)40(17)29-37(14)28-39(16)44(38(15)26-27-47)51-54(31(2)3,32(4)5)33(6)7/h24,26-28,31-36,38-46H,1,25,29-30H2,2-23H3/b27-26-,37-28-/t38-,39-,40-,41-,42-,43?,44-,45+,46-/m1/s1.

What are the key properties of [(1S,2R,3Z,6R,7S,8S,9R,10S)-1-[(Z,2R)-4-iodobut-3-en-2-yl]-9-(methoxymethoxy)-2,4,6,8,10-pentamethyl-11-trimethylsilyloxy-7-tri(propan-2-yl)silyloxytetradeca-3,13-dienoxy]-tri(propan-2-yl)silane?

[(1S,2R,3Z,6R,7S,8S,9R,10S)-1-[(Z,2R)-4-iodobut-3-en-2-yl]-9-(methoxymethoxy)-2,4,6,8,10-pentamethyl-11-trimethylsilyloxy-7-tri(propan-2-yl)silyloxytetradeca-3,13-dienoxy]-tri(propan-2-yl)silane has a molecular weight of 937.41 g/mol, XLogP of 15.36, 28 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,2R,3Z,6R,7S,8S,9R,10S)-1-[(Z,2R)-4-iodobut-3-en-2-yl]-9-(methoxymethoxy)-2,4,6,8,10-pentamethyl-11-trimethylsilyloxy-7-tri(propan-2-yl)silyloxytetradeca-3,13-dienoxy]-tri(propan-2-yl)silane is sourced from PubChem (CID 10677302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).