3-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-3-methyloxan-2-yl]propan-1-ol;[(E,3S)-3-[(2S,3R,4S,5S,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyl-6-prop-2-enyloxan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-trimethylsilane

C66H142O9Si8 — CID 159039343

About 3-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-3-methyloxan-2-yl]propan-1-ol;[(E,3S)-3-[(2S,3R,4S,5S,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyl-6-prop-2-enyloxan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-trimethylsilane

3-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-3-methyloxan-2-yl]propan-1-ol;[(E,3S)-3-[(2S,3R,4S,5S,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyl-6-prop-2-enyloxan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-trimethylsilane (PubChem CID 159039343) has the molecular formula C66H142O9Si8 and a molecular weight of 1304.54 g/mol. Its IUPAC name is 3-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-3-methyloxan-2-yl]propan-1-ol;[(E,3S)-3-[(2S,3R,4S,5S,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyl-6-prop-2-enyloxan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-trimethylsilane.

Molecular Properties

• Compound Name: 3-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-3-methyloxan-2-yl]propan-1-ol;[(E,3S)-3-[(2S,3R,4S,5S,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyl-6-prop-2-enyloxan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-trimethylsilane
• PubChem CID: 159039343
• Molecular Formula: C66H142O9Si8
• Molecular Weight: 1304.54 g/mol
• Exact Mass: 1302.88
• IUPAC Name: 3-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-3-methyloxan-2-yl]propan-1-ol;[(E,3S)-3-[(2S,3R,4S,5S,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyl-6-prop-2-enyloxan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-trimethylsilane
• SMILES: C=CC[C@@H]1O[C@@H]([C@H](/C=C/[Si](C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C.C[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]([C@H](/C=C/[Si](C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H]1CCCO
• InChI: InChI=1S/C33H72O5Si4.C33H70O4Si4/c1-25-26(21-20-23-34)35-29(27(22-24-39(11,12)13)36-40(14,15)31(2,3)4)30(38-42(18,19)33(8,9)10)28(25)37-41(16,17)32(5,6)7;1-21-22-26-25(2)28(36-40(17,18)32(6,7)8)30(37-41(19,20)33(9,10)11)29(34-26)27(23-24-38(12,13)14)35-39(15,16)31(3,4)5/h22,24-30,34H,20-21,23H2,1-19H3;21,23-30H,1,22H2,2-20H3/b24-22+;24-23+/t2*25-,26-,27-,28-,29-,30-/m00/s1
• InChIKey: JVVYAMNMUBVPHX-TVCYGORPSA-N
• XLogP: 20.34
• TPSA: 94.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 23
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1304.54
LogP ≤ 5	20.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-3-methyloxan-2-yl]propan-1-ol;[(E,3S)-3-[(2S,3R,4S,5S,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyl-6-prop-2-enyloxan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-trimethylsilane?

The IUPAC name of 3-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-3-methyloxan-2-yl]propan-1-ol;[(E,3S)-3-[(2S,3R,4S,5S,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyl-6-prop-2-enyloxan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-trimethylsilane (CID 159039343) is 3-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-3-methyloxan-2-yl]propan-1-ol;[(E,3S)-3-[(2S,3R,4S,5S,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyl-6-prop-2-enyloxan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-trimethylsilane.

What is the SMILES notation for 3-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-3-methyloxan-2-yl]propan-1-ol;[(E,3S)-3-[(2S,3R,4S,5S,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyl-6-prop-2-enyloxan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-trimethylsilane?

The canonical SMILES for 3-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-3-methyloxan-2-yl]propan-1-ol;[(E,3S)-3-[(2S,3R,4S,5S,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyl-6-prop-2-enyloxan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-trimethylsilane is C=CC[C@@H]1O[C@@H]([C@H](/C=C/[Si](C)(C)C)O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1C.C[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H]([C@H](/C=C/[Si](C)(C)C)O[Si](C)(C)C(C)(C)C)O[C@H]1CCCO.

What is the InChIKey of 3-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-3-methyloxan-2-yl]propan-1-ol;[(E,3S)-3-[(2S,3R,4S,5S,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyl-6-prop-2-enyloxan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-trimethylsilane?

The InChIKey is JVVYAMNMUBVPHX-TVCYGORPSA-N. The full InChI is InChI=1S/C33H72O5Si4.C33H70O4Si4/c1-25-26(21-20-23-34)35-29(27(22-24-39(11,12)13)36-40(14,15)31(2,3)4)30(38-42(18,19)33(8,9)10)28(25)37-41(16,17)32(5,6)7;1-21-22-26-25(2)28(36-40(17,18)32(6,7)8)30(37-41(19,20)33(9,10)11)29(34-26)27(23-24-38(12,13)14)35-39(15,16)31(3,4)5/h22,24-30,34H,20-21,23H2,1-19H3;21,23-30H,1,22H2,2-20H3/b24-22+;24-23+/t2*25-,26-,27-,28-,29-,30-/m00/s1.

What are the key properties of 3-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-3-methyloxan-2-yl]propan-1-ol;[(E,3S)-3-[(2S,3R,4S,5S,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyl-6-prop-2-enyloxan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-trimethylsilane?

3-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-3-methyloxan-2-yl]propan-1-ol;[(E,3S)-3-[(2S,3R,4S,5S,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyl-6-prop-2-enyloxan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-trimethylsilane has a molecular weight of 1304.54 g/mol, XLogP of 20.34, 23 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2S,3S,4S,5R,6S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-6-[(E,1S)-1-[tert-butyl(dimethyl)silyl]oxy-3-trimethylsilylprop-2-enyl]-3-methyloxan-2-yl]propan-1-ol;[(E,3S)-3-[(2S,3R,4S,5S,6S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-5-methyl-6-prop-2-enyloxan-2-yl]-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]-trimethylsilane is sourced from PubChem (CID 159039343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).