2-[[(2R,3R)-1-[(3aS,5S,7E,7aS)-3a-methoxy-3,3-dimethyl-7-[2-tri(propan-2-yl)silyloxyethylidene]-2,5,6,7a-tetrahydrofuro[3,2-b]pyran-5-yl]-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxymethoxy]ethyl-trimethylsilane

C37H76O7Si3 — CID 135011424

About 2-[[(2R,3R)-1-[(3aS,5S,7E,7aS)-3a-methoxy-3,3-dimethyl-7-[2-tri(propan-2-yl)silyloxyethylidene]-2,5,6,7a-tetrahydrofuro[3,2-b]pyran-5-yl]-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxymethoxy]ethyl-trimethylsilane

2-[[(2R,3R)-1-[(3aS,5S,7E,7aS)-3a-methoxy-3,3-dimethyl-7-[2-tri(propan-2-yl)silyloxyethylidene]-2,5,6,7a-tetrahydrofuro[3,2-b]pyran-5-yl]-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxymethoxy]ethyl-trimethylsilane (PubChem CID 135011424) has the molecular formula C37H76O7Si3 and a molecular weight of 717.27 g/mol. Its IUPAC name is 2-[[(2R,3R)-1-[(3aS,5S,7E,7aS)-3a-methoxy-3,3-dimethyl-7-[2-tri(propan-2-yl)silyloxyethylidene]-2,5,6,7a-tetrahydrofuro[3,2-b]pyran-5-yl]-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxymethoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[[(2R,3R)-1-[(3aS,5S,7E,7aS)-3a-methoxy-3,3-dimethyl-7-[2-tri(propan-2-yl)silyloxyethylidene]-2,5,6,7a-tetrahydrofuro[3,2-b]pyran-5-yl]-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxymethoxy]ethyl-trimethylsilane
• PubChem CID: 135011424
• Molecular Formula: C37H76O7Si3
• Molecular Weight: 717.27 g/mol
• Exact Mass: 716.49
• IUPAC Name: 2-[[(2R,3R)-1-[(3aS,5S,7E,7aS)-3a-methoxy-3,3-dimethyl-7-[2-tri(propan-2-yl)silyloxyethylidene]-2,5,6,7a-tetrahydrofuro[3,2-b]pyran-5-yl]-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxymethoxy]ethyl-trimethylsilane
• SMILES: CO[C@@]12O[C@H](C[C@@H](OCOCC[Si](C)(C)C)[C@@H](C)O[Si](C)(C)C(C)(C)C)C/C(=C\CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1OCC2(C)C
• InChI: InChI=1S/C37H76O7Si3/c1-27(2)47(28(3)4,29(5)6)42-20-19-31-23-32(43-37(38-13)34(31)40-25-36(37,11)12)24-33(41-26-39-21-22-45(14,15)16)30(7)44-46(17,18)35(8,9)10/h19,27-30,32-34H,20-26H2,1-18H3/b31-19+/t30-,32+,33-,34+,37-/m1/s1
• InChIKey: LNRRERJRLBUOJI-YLUFNWSKSA-N
• XLogP: 10.16
• TPSA: 64.61 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 18
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	717.27
LogP ≤ 5	10.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R,3R)-1-[(3aS,5S,7E,7aS)-3a-methoxy-3,3-dimethyl-7-[2-tri(propan-2-yl)silyloxyethylidene]-2,5,6,7a-tetrahydrofuro[3,2-b]pyran-5-yl]-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxymethoxy]ethyl-trimethylsilane?

The IUPAC name of 2-[[(2R,3R)-1-[(3aS,5S,7E,7aS)-3a-methoxy-3,3-dimethyl-7-[2-tri(propan-2-yl)silyloxyethylidene]-2,5,6,7a-tetrahydrofuro[3,2-b]pyran-5-yl]-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxymethoxy]ethyl-trimethylsilane (CID 135011424) is 2-[[(2R,3R)-1-[(3aS,5S,7E,7aS)-3a-methoxy-3,3-dimethyl-7-[2-tri(propan-2-yl)silyloxyethylidene]-2,5,6,7a-tetrahydrofuro[3,2-b]pyran-5-yl]-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxymethoxy]ethyl-trimethylsilane.

What is the SMILES notation for 2-[[(2R,3R)-1-[(3aS,5S,7E,7aS)-3a-methoxy-3,3-dimethyl-7-[2-tri(propan-2-yl)silyloxyethylidene]-2,5,6,7a-tetrahydrofuro[3,2-b]pyran-5-yl]-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxymethoxy]ethyl-trimethylsilane?

The canonical SMILES for 2-[[(2R,3R)-1-[(3aS,5S,7E,7aS)-3a-methoxy-3,3-dimethyl-7-[2-tri(propan-2-yl)silyloxyethylidene]-2,5,6,7a-tetrahydrofuro[3,2-b]pyran-5-yl]-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxymethoxy]ethyl-trimethylsilane is CO[C@@]12O[C@H](C[C@@H](OCOCC[Si](C)(C)C)[C@@H](C)O[Si](C)(C)C(C)(C)C)C/C(=C\CO[Si](C(C)C)(C(C)C)C(C)C)[C@@H]1OCC2(C)C.

What is the InChIKey of 2-[[(2R,3R)-1-[(3aS,5S,7E,7aS)-3a-methoxy-3,3-dimethyl-7-[2-tri(propan-2-yl)silyloxyethylidene]-2,5,6,7a-tetrahydrofuro[3,2-b]pyran-5-yl]-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxymethoxy]ethyl-trimethylsilane?

The InChIKey is LNRRERJRLBUOJI-YLUFNWSKSA-N. The full InChI is InChI=1S/C37H76O7Si3/c1-27(2)47(28(3)4,29(5)6)42-20-19-31-23-32(43-37(38-13)34(31)40-25-36(37,11)12)24-33(41-26-39-21-22-45(14,15)16)30(7)44-46(17,18)35(8,9)10/h19,27-30,32-34H,20-26H2,1-18H3/b31-19+/t30-,32+,33-,34+,37-/m1/s1.

What are the key properties of 2-[[(2R,3R)-1-[(3aS,5S,7E,7aS)-3a-methoxy-3,3-dimethyl-7-[2-tri(propan-2-yl)silyloxyethylidene]-2,5,6,7a-tetrahydrofuro[3,2-b]pyran-5-yl]-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxymethoxy]ethyl-trimethylsilane?

2-[[(2R,3R)-1-[(3aS,5S,7E,7aS)-3a-methoxy-3,3-dimethyl-7-[2-tri(propan-2-yl)silyloxyethylidene]-2,5,6,7a-tetrahydrofuro[3,2-b]pyran-5-yl]-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxymethoxy]ethyl-trimethylsilane has a molecular weight of 717.27 g/mol, XLogP of 10.16, 18 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(2R,3R)-1-[(3aS,5S,7E,7aS)-3a-methoxy-3,3-dimethyl-7-[2-tri(propan-2-yl)silyloxyethylidene]-2,5,6,7a-tetrahydrofuro[3,2-b]pyran-5-yl]-3-[tert-butyl(dimethyl)silyl]oxybutan-2-yl]oxymethoxy]ethyl-trimethylsilane is sourced from PubChem (CID 135011424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).