methyl 2-[(2S,3R,4S,4aS,6R,8aS)-3,4-bis(triethylsilyloxy)-2-[(1S)-1-triethylsilyloxyprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate

C32H64O7Si3 — CID 11664603

About methyl 2-[(2S,3R,4S,4aS,6R,8aS)-3,4-bis(triethylsilyloxy)-2-[(1S)-1-triethylsilyloxyprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate

methyl 2-[(2S,3R,4S,4aS,6R,8aS)-3,4-bis(triethylsilyloxy)-2-[(1S)-1-triethylsilyloxyprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate (PubChem CID 11664603) has the molecular formula C32H64O7Si3 and a molecular weight of 645.12 g/mol. Its IUPAC name is methyl 2-[(2S,3R,4S,4aS,6R,8aS)-3,4-bis(triethylsilyloxy)-2-[(1S)-1-triethylsilyloxyprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate.

Molecular Properties

• Compound Name: methyl 2-[(2S,3R,4S,4aS,6R,8aS)-3,4-bis(triethylsilyloxy)-2-[(1S)-1-triethylsilyloxyprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate
• PubChem CID: 11664603
• Molecular Formula: C32H64O7Si3
• Molecular Weight: 645.12 g/mol
• Exact Mass: 644.40
• IUPAC Name: methyl 2-[(2S,3R,4S,4aS,6R,8aS)-3,4-bis(triethylsilyloxy)-2-[(1S)-1-triethylsilyloxyprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate
• SMILES: C=C[C@H](O[Si](CC)(CC)CC)[C@@H]1O[C@H]2CC[C@H](CC(=O)OC)O[C@@H]2[C@H](O[Si](CC)(CC)CC)[C@@H]1O[Si](CC)(CC)CC
• InChI: InChI=1S/C32H64O7Si3/c1-12-26(37-40(13-2,14-3)15-4)29-31(38-41(16-5,17-6)18-7)32(39-42(19-8,20-9)21-10)30-27(36-29)23-22-25(35-30)24-28(33)34-11/h12,25-27,29-32H,1,13-24H2,2-11H3/t25-,26+,27+,29+,30+,31-,32+/m1/s1
• InChIKey: JBXUDINUUIIUNP-WXLSTTMOSA-N
• XLogP: 8.22
• TPSA: 72.45 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 19
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	645.12
LogP ≤ 5	8.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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 methyl 2-[(2S,3R,4S,4aS,6R,8aS)-3,4-bis(triethylsilyloxy)-2-[(1S)-1-triethylsilyloxyprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate?

The IUPAC name of methyl 2-[(2S,3R,4S,4aS,6R,8aS)-3,4-bis(triethylsilyloxy)-2-[(1S)-1-triethylsilyloxyprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate (CID 11664603) is methyl 2-[(2S,3R,4S,4aS,6R,8aS)-3,4-bis(triethylsilyloxy)-2-[(1S)-1-triethylsilyloxyprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate.

What is the SMILES notation for methyl 2-[(2S,3R,4S,4aS,6R,8aS)-3,4-bis(triethylsilyloxy)-2-[(1S)-1-triethylsilyloxyprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate?

The canonical SMILES for methyl 2-[(2S,3R,4S,4aS,6R,8aS)-3,4-bis(triethylsilyloxy)-2-[(1S)-1-triethylsilyloxyprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate is C=C[C@H](O[Si](CC)(CC)CC)[C@@H]1O[C@H]2CC[C@H](CC(=O)OC)O[C@@H]2[C@H](O[Si](CC)(CC)CC)[C@@H]1O[Si](CC)(CC)CC.

What is the InChIKey of methyl 2-[(2S,3R,4S,4aS,6R,8aS)-3,4-bis(triethylsilyloxy)-2-[(1S)-1-triethylsilyloxyprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate?

The InChIKey is JBXUDINUUIIUNP-WXLSTTMOSA-N. The full InChI is InChI=1S/C32H64O7Si3/c1-12-26(37-40(13-2,14-3)15-4)29-31(38-41(16-5,17-6)18-7)32(39-42(19-8,20-9)21-10)30-27(36-29)23-22-25(35-30)24-28(33)34-11/h12,25-27,29-32H,1,13-24H2,2-11H3/t25-,26+,27+,29+,30+,31-,32+/m1/s1.

What are the key properties of methyl 2-[(2S,3R,4S,4aS,6R,8aS)-3,4-bis(triethylsilyloxy)-2-[(1S)-1-triethylsilyloxyprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate?

methyl 2-[(2S,3R,4S,4aS,6R,8aS)-3,4-bis(triethylsilyloxy)-2-[(1S)-1-triethylsilyloxyprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate has a molecular weight of 645.12 g/mol, XLogP of 8.22, 19 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[(2S,3R,4S,4aS,6R,8aS)-3,4-bis(triethylsilyloxy)-2-[(1S)-1-triethylsilyloxyprop-2-enyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-6-yl]acetate is sourced from PubChem (CID 11664603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).