[6-[[6-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-4-[(1S,2R)-2-[(2S,3S)-2-methoxy-3-methylpentyl]cyclopropyl]butanoyl]oxymethyl]-3,4,5-trimethyloxan-2-yl]methyl]-3,4,5-trimethyloxan-2-yl]methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-4-[(1R,2S)-2-[[(1R,2R)-2-ethylcyclopropyl]methyl]cyclopropyl]butanoate

C62H116O9Si2 — CID 88553704

About [6-[[6-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-4-[(1S,2R)-2-[(2S,3S)-2-methoxy-3-methylpentyl]cyclopropyl]butanoyl]oxymethyl]-3,4,5-trimethyloxan-2-yl]methyl]-3,4,5-trimethyloxan-2-yl]methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-4-[(1R,2S)-2-[[(1R,2R)-2-ethylcyclopropyl]methyl]cyclopropyl]butanoate

[6-[[6-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-4-[(1S,2R)-2-[(2S,3S)-2-methoxy-3-methylpentyl]cyclopropyl]butanoyl]oxymethyl]-3,4,5-trimethyloxan-2-yl]methyl]-3,4,5-trimethyloxan-2-yl]methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-4-[(1R,2S)-2-[[(1R,2R)-2-ethylcyclopropyl]methyl]cyclopropyl]butanoate (PubChem CID 88553704) has the molecular formula C62H116O9Si2 and a molecular weight of 1061.77 g/mol. Its IUPAC name is [6-[[6-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-4-[(1S,2R)-2-[(2S,3S)-2-methoxy-3-methylpentyl]cyclopropyl]butanoyl]oxymethyl]-3,4,5-trimethyloxan-2-yl]methyl]-3,4,5-trimethyloxan-2-yl]methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-4-[(1R,2S)-2-[[(1R,2R)-2-ethylcyclopropyl]methyl]cyclopropyl]butanoate.

Molecular Properties

• Compound Name: [6-[[6-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-4-[(1S,2R)-2-[(2S,3S)-2-methoxy-3-methylpentyl]cyclopropyl]butanoyl]oxymethyl]-3,4,5-trimethyloxan-2-yl]methyl]-3,4,5-trimethyloxan-2-yl]methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-4-[(1R,2S)-2-[[(1R,2R)-2-ethylcyclopropyl]methyl]cyclopropyl]butanoate
• PubChem CID: 88553704
• Molecular Formula: C62H116O9Si2
• Molecular Weight: 1061.77 g/mol
• Exact Mass: 1060.82
• IUPAC Name: [6-[[6-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-4-[(1S,2R)-2-[(2S,3S)-2-methoxy-3-methylpentyl]cyclopropyl]butanoyl]oxymethyl]-3,4,5-trimethyloxan-2-yl]methyl]-3,4,5-trimethyloxan-2-yl]methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-4-[(1R,2S)-2-[[(1R,2R)-2-ethylcyclopropyl]methyl]cyclopropyl]butanoate
• SMILES: CC[C@@H]1C[C@@H]1C[C@@H]1C[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CC)C(=O)OCC1OC(CC2OC(COC(=O)[C@H](CC)[C@@H](C[C@@H]3C[C@@H]3C[C@H](OC)[C@@H](C)CC)O[Si](C)(C)C(C)(C)C)C(C)C(C)C2C)C(C)C(C)C1C
• InChI: InChI=1S/C62H116O9Si2/c1-23-37(5)52(65-18)31-47-30-49(47)33-56(71-73(21,22)62(15,16)17)51(26-4)60(64)67-36-58-43(11)39(7)41(9)54(69-58)34-53-40(8)38(6)42(10)57(68-53)35-66-59(63)50(25-3)55(70-72(19,20)61(12,13)14)32-48-29-46(48)28-45-27-44(45)24-2/h37-58H,23-36H2,1-22H3/t37-,38?,39?,40?,41?,42?,43?,44+,45+,46+,47+,48+,49-,50+,51+,52-,53?,54?,55+,56+,57?,58?/m0/s1
• InChIKey: VIMVQVCTCOXJBO-YLFUBXRNSA-N
• XLogP: 15.59
• TPSA: 98.75 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 28
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1061.77
LogP ≤ 5	15.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [6-[[6-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-4-[(1S,2R)-2-[(2S,3S)-2-methoxy-3-methylpentyl]cyclopropyl]butanoyl]oxymethyl]-3,4,5-trimethyloxan-2-yl]methyl]-3,4,5-trimethyloxan-2-yl]methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-4-[(1R,2S)-2-[[(1R,2R)-2-ethylcyclopropyl]methyl]cyclopropyl]butanoate?

The IUPAC name of [6-[[6-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-4-[(1S,2R)-2-[(2S,3S)-2-methoxy-3-methylpentyl]cyclopropyl]butanoyl]oxymethyl]-3,4,5-trimethyloxan-2-yl]methyl]-3,4,5-trimethyloxan-2-yl]methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-4-[(1R,2S)-2-[[(1R,2R)-2-ethylcyclopropyl]methyl]cyclopropyl]butanoate (CID 88553704) is [6-[[6-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-4-[(1S,2R)-2-[(2S,3S)-2-methoxy-3-methylpentyl]cyclopropyl]butanoyl]oxymethyl]-3,4,5-trimethyloxan-2-yl]methyl]-3,4,5-trimethyloxan-2-yl]methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-4-[(1R,2S)-2-[[(1R,2R)-2-ethylcyclopropyl]methyl]cyclopropyl]butanoate.

What is the SMILES notation for [6-[[6-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-4-[(1S,2R)-2-[(2S,3S)-2-methoxy-3-methylpentyl]cyclopropyl]butanoyl]oxymethyl]-3,4,5-trimethyloxan-2-yl]methyl]-3,4,5-trimethyloxan-2-yl]methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-4-[(1R,2S)-2-[[(1R,2R)-2-ethylcyclopropyl]methyl]cyclopropyl]butanoate?

The canonical SMILES for [6-[[6-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-4-[(1S,2R)-2-[(2S,3S)-2-methoxy-3-methylpentyl]cyclopropyl]butanoyl]oxymethyl]-3,4,5-trimethyloxan-2-yl]methyl]-3,4,5-trimethyloxan-2-yl]methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-4-[(1R,2S)-2-[[(1R,2R)-2-ethylcyclopropyl]methyl]cyclopropyl]butanoate is CC[C@@H]1C[C@@H]1C[C@@H]1C[C@@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](CC)C(=O)OCC1OC(CC2OC(COC(=O)[C@H](CC)[C@@H](C[C@@H]3C[C@@H]3C[C@H](OC)[C@@H](C)CC)O[Si](C)(C)C(C)(C)C)C(C)C(C)C2C)C(C)C(C)C1C.

What is the InChIKey of [6-[[6-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-4-[(1S,2R)-2-[(2S,3S)-2-methoxy-3-methylpentyl]cyclopropyl]butanoyl]oxymethyl]-3,4,5-trimethyloxan-2-yl]methyl]-3,4,5-trimethyloxan-2-yl]methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-4-[(1R,2S)-2-[[(1R,2R)-2-ethylcyclopropyl]methyl]cyclopropyl]butanoate?

The InChIKey is VIMVQVCTCOXJBO-YLFUBXRNSA-N. The full InChI is InChI=1S/C62H116O9Si2/c1-23-37(5)52(65-18)31-47-30-49(47)33-56(71-73(21,22)62(15,16)17)51(26-4)60(64)67-36-58-43(11)39(7)41(9)54(69-58)34-53-40(8)38(6)42(10)57(68-53)35-66-59(63)50(25-3)55(70-72(19,20)61(12,13)14)32-48-29-46(48)28-45-27-44(45)24-2/h37-58H,23-36H2,1-22H3/t37-,38?,39?,40?,41?,42?,43?,44+,45+,46+,47+,48+,49-,50+,51+,52-,53?,54?,55+,56+,57?,58?/m0/s1.

What are the key properties of [6-[[6-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-4-[(1S,2R)-2-[(2S,3S)-2-methoxy-3-methylpentyl]cyclopropyl]butanoyl]oxymethyl]-3,4,5-trimethyloxan-2-yl]methyl]-3,4,5-trimethyloxan-2-yl]methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-4-[(1R,2S)-2-[[(1R,2R)-2-ethylcyclopropyl]methyl]cyclopropyl]butanoate?

[6-[[6-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-4-[(1S,2R)-2-[(2S,3S)-2-methoxy-3-methylpentyl]cyclopropyl]butanoyl]oxymethyl]-3,4,5-trimethyloxan-2-yl]methyl]-3,4,5-trimethyloxan-2-yl]methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-4-[(1R,2S)-2-[[(1R,2R)-2-ethylcyclopropyl]methyl]cyclopropyl]butanoate has a molecular weight of 1061.77 g/mol, XLogP of 15.59, 28 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [6-[[6-[[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-4-[(1S,2R)-2-[(2S,3S)-2-methoxy-3-methylpentyl]cyclopropyl]butanoyl]oxymethyl]-3,4,5-trimethyloxan-2-yl]methyl]-3,4,5-trimethyloxan-2-yl]methyl (2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-4-[(1R,2S)-2-[[(1R,2R)-2-ethylcyclopropyl]methyl]cyclopropyl]butanoate is sourced from PubChem (CID 88553704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).