trans-(1S,2S)-1-[(3S,4S,5S)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]-3-methoxyhexyl]-2-[(2S,3R,5S,7R)-3,5,7-tris[[tert-butyl(dimethyl)silyl]oxy]-8-[(2S,6R)-6-(2-phenylmethoxyethyl)oxan-2-yl]octan-2-yl]cyclopropan-1-ol

C68H138O10Si6 — CID 24828773

About trans-(1S,2S)-1-[(3S,4S,5S)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]-3-methoxyhexyl]-2-[(2S,3R,5S,7R)-3,5,7-tris[[tert-butyl(dimethyl)silyl]oxy]-8-[(2S,6R)-6-(2-phenylmethoxyethyl)oxan-2-yl]octan-2-yl]cyclopropan-1-ol

trans-(1S,2S)-1-[(3S,4S,5S)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]-3-methoxyhexyl]-2-[(2S,3R,5S,7R)-3,5,7-tris[[tert-butyl(dimethyl)silyl]oxy]-8-[(2S,6R)-6-(2-phenylmethoxyethyl)oxan-2-yl]octan-2-yl]cyclopropan-1-ol (PubChem CID 24828773) has the molecular formula C68H138O10Si6 and a molecular weight of 1284.36 g/mol. Its IUPAC name is trans-(1S,2S)-1-[(3S,4S,5S)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]-3-methoxyhexyl]-2-[(2S,3R,5S,7R)-3,5,7-tris[[tert-butyl(dimethyl)silyl]oxy]-8-[(2S,6R)-6-(2-phenylmethoxyethyl)oxan-2-yl]octan-2-yl]cyclopropan-1-ol.

Molecular Properties

• Compound Name: trans-(1S,2S)-1-[(3S,4S,5S)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]-3-methoxyhexyl]-2-[(2S,3R,5S,7R)-3,5,7-tris[[tert-butyl(dimethyl)silyl]oxy]-8-[(2S,6R)-6-(2-phenylmethoxyethyl)oxan-2-yl]octan-2-yl]cyclopropan-1-ol
• PubChem CID: 24828773
• Molecular Formula: C68H138O10Si6
• Molecular Weight: 1284.36 g/mol
• Exact Mass: 1282.89
• IUPAC Name: trans-(1S,2S)-1-[(3S,4S,5S)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]-3-methoxyhexyl]-2-[(2S,3R,5S,7R)-3,5,7-tris[[tert-butyl(dimethyl)silyl]oxy]-8-[(2S,6R)-6-(2-phenylmethoxyethyl)oxan-2-yl]octan-2-yl]cyclopropan-1-ol
• SMILES: CO[C@@H](CC[C@]1(O)C[C@H]1[C@H](C)[C@@H](C[C@H](C[C@@H](C[C@@H]1CCC[C@H](CCOCc2ccccc2)O1)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C68H138O10Si6/c1-51(57-48-68(57,69)43-41-58(70-20)61(78-84(31,32)67(17,18)19)60(77-83(29,30)66(14,15)16)50-72-79(21,22)62(2,3)4)59(76-82(27,28)65(11,12)13)47-56(75-81(25,26)64(8,9)10)46-55(74-80(23,24)63(5,6)7)45-54-40-36-39-53(73-54)42-44-71-49-52-37-34-33-35-38-52/h33-35,37-38,51,53-61,69H,36,39-50H2,1-32H3/t51-,53+,54-,55+,56-,57-,58-,59+,60-,61-,68-/m0/s1
• InChIKey: RSXMLNKXVNHSGQ-NGKWMYDESA-N
• XLogP: 19.86
• TPSA: 103.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 32
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1284.36
LogP ≤ 5	19.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-1-[(3S,4S,5S)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]-3-methoxyhexyl]-2-[(2S,3R,5S,7R)-3,5,7-tris[[tert-butyl(dimethyl)silyl]oxy]-8-[(2S,6R)-6-(2-phenylmethoxyethyl)oxan-2-yl]octan-2-yl]cyclopropan-1-ol?

The IUPAC name of trans-(1S,2S)-1-[(3S,4S,5S)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]-3-methoxyhexyl]-2-[(2S,3R,5S,7R)-3,5,7-tris[[tert-butyl(dimethyl)silyl]oxy]-8-[(2S,6R)-6-(2-phenylmethoxyethyl)oxan-2-yl]octan-2-yl]cyclopropan-1-ol (CID 24828773) is trans-(1S,2S)-1-[(3S,4S,5S)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]-3-methoxyhexyl]-2-[(2S,3R,5S,7R)-3,5,7-tris[[tert-butyl(dimethyl)silyl]oxy]-8-[(2S,6R)-6-(2-phenylmethoxyethyl)oxan-2-yl]octan-2-yl]cyclopropan-1-ol.

What is the SMILES notation for trans-(1S,2S)-1-[(3S,4S,5S)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]-3-methoxyhexyl]-2-[(2S,3R,5S,7R)-3,5,7-tris[[tert-butyl(dimethyl)silyl]oxy]-8-[(2S,6R)-6-(2-phenylmethoxyethyl)oxan-2-yl]octan-2-yl]cyclopropan-1-ol?

The canonical SMILES for trans-(1S,2S)-1-[(3S,4S,5S)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]-3-methoxyhexyl]-2-[(2S,3R,5S,7R)-3,5,7-tris[[tert-butyl(dimethyl)silyl]oxy]-8-[(2S,6R)-6-(2-phenylmethoxyethyl)oxan-2-yl]octan-2-yl]cyclopropan-1-ol is CO[C@@H](CC[C@]1(O)C[C@H]1[C@H](C)[C@@H](C[C@H](C[C@@H](C[C@@H]1CCC[C@H](CCOCc2ccccc2)O1)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of trans-(1S,2S)-1-[(3S,4S,5S)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]-3-methoxyhexyl]-2-[(2S,3R,5S,7R)-3,5,7-tris[[tert-butyl(dimethyl)silyl]oxy]-8-[(2S,6R)-6-(2-phenylmethoxyethyl)oxan-2-yl]octan-2-yl]cyclopropan-1-ol?

The InChIKey is RSXMLNKXVNHSGQ-NGKWMYDESA-N. The full InChI is InChI=1S/C68H138O10Si6/c1-51(57-48-68(57,69)43-41-58(70-20)61(78-84(31,32)67(17,18)19)60(77-83(29,30)66(14,15)16)50-72-79(21,22)62(2,3)4)59(76-82(27,28)65(11,12)13)47-56(75-81(25,26)64(8,9)10)46-55(74-80(23,24)63(5,6)7)45-54-40-36-39-53(73-54)42-44-71-49-52-37-34-33-35-38-52/h33-35,37-38,51,53-61,69H,36,39-50H2,1-32H3/t51-,53+,54-,55+,56-,57-,58-,59+,60-,61-,68-/m0/s1.

What are the key properties of trans-(1S,2S)-1-[(3S,4S,5S)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]-3-methoxyhexyl]-2-[(2S,3R,5S,7R)-3,5,7-tris[[tert-butyl(dimethyl)silyl]oxy]-8-[(2S,6R)-6-(2-phenylmethoxyethyl)oxan-2-yl]octan-2-yl]cyclopropan-1-ol?

trans-(1S,2S)-1-[(3S,4S,5S)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]-3-methoxyhexyl]-2-[(2S,3R,5S,7R)-3,5,7-tris[[tert-butyl(dimethyl)silyl]oxy]-8-[(2S,6R)-6-(2-phenylmethoxyethyl)oxan-2-yl]octan-2-yl]cyclopropan-1-ol has a molecular weight of 1284.36 g/mol, XLogP of 19.86, 32 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1S,2S)-1-[(3S,4S,5S)-4,5,6-tris[[tert-butyl(dimethyl)silyl]oxy]-3-methoxyhexyl]-2-[(2S,3R,5S,7R)-3,5,7-tris[[tert-butyl(dimethyl)silyl]oxy]-8-[(2S,6R)-6-(2-phenylmethoxyethyl)oxan-2-yl]octan-2-yl]cyclopropan-1-ol is sourced from PubChem (CID 24828773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).