(2R)-2-[(1E,3Z,5R,7E,9E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-11-[(2S,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]-3,5,7-trimethylundeca-1,3,7,9-tetraenyl]-2,3-dihydropyran-6-one

C40H68O5Si2 — CID 10842310

About (2R)-2-[(1E,3Z,5R,7E,9E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-11-[(2S,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]-3,5,7-trimethylundeca-1,3,7,9-tetraenyl]-2,3-dihydropyran-6-one

(2R)-2-[(1E,3Z,5R,7E,9E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-11-[(2S,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]-3,5,7-trimethylundeca-1,3,7,9-tetraenyl]-2,3-dihydropyran-6-one (PubChem CID 10842310) has the molecular formula C40H68O5Si2 and a molecular weight of 685.15 g/mol. Its IUPAC name is (2R)-2-[(1E,3Z,5R,7E,9E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-11-[(2S,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]-3,5,7-trimethylundeca-1,3,7,9-tetraenyl]-2,3-dihydropyran-6-one.

Molecular Properties

• Compound Name: (2R)-2-[(1E,3Z,5R,7E,9E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-11-[(2S,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]-3,5,7-trimethylundeca-1,3,7,9-tetraenyl]-2,3-dihydropyran-6-one
• PubChem CID: 10842310
• Molecular Formula: C40H68O5Si2
• Molecular Weight: 685.15 g/mol
• Exact Mass: 684.46
• IUPAC Name: (2R)-2-[(1E,3Z,5R,7E,9E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-11-[(2S,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]-3,5,7-trimethylundeca-1,3,7,9-tetraenyl]-2,3-dihydropyran-6-one
• SMILES: C/C=C/[C@@H]1O[C@H]([C@@H](/C=C/C=C(\C)C[C@@H](C)/C=C(C)\C=C\[C@H]2CC=CC(=O)O2)O[Si](C)(C)C(C)(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C
• InChI: InChI=1S/C40H68O5Si2/c1-16-19-34-32(5)36(45-47(14,15)40(9,10)11)28-37(43-34)35(44-46(12,13)39(6,7)8)22-17-20-29(2)26-31(4)27-30(3)24-25-33-21-18-23-38(41)42-33/h16-20,22-25,27,31-37H,21,26,28H2,1-15H3/b19-16+,22-17+,25-24+,29-20+,30-27-/t31-,32-,33-,34+,35-,36-,37+/m1/s1
• InChIKey: VZELWOASOFEVIX-SMIGAUEHSA-N
• XLogP: 11.04
• TPSA: 53.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	685.15
LogP ≤ 5	11.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1E,3Z,5R,7E,9E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-11-[(2S,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]-3,5,7-trimethylundeca-1,3,7,9-tetraenyl]-2,3-dihydropyran-6-one?

The IUPAC name of (2R)-2-[(1E,3Z,5R,7E,9E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-11-[(2S,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]-3,5,7-trimethylundeca-1,3,7,9-tetraenyl]-2,3-dihydropyran-6-one (CID 10842310) is (2R)-2-[(1E,3Z,5R,7E,9E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-11-[(2S,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]-3,5,7-trimethylundeca-1,3,7,9-tetraenyl]-2,3-dihydropyran-6-one.

What is the SMILES notation for (2R)-2-[(1E,3Z,5R,7E,9E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-11-[(2S,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]-3,5,7-trimethylundeca-1,3,7,9-tetraenyl]-2,3-dihydropyran-6-one?

The canonical SMILES for (2R)-2-[(1E,3Z,5R,7E,9E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-11-[(2S,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]-3,5,7-trimethylundeca-1,3,7,9-tetraenyl]-2,3-dihydropyran-6-one is C/C=C/[C@@H]1O[C@H]([C@@H](/C=C/C=C(\C)C[C@@H](C)/C=C(C)\C=C\[C@H]2CC=CC(=O)O2)O[Si](C)(C)C(C)(C)C)C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1C.

What is the InChIKey of (2R)-2-[(1E,3Z,5R,7E,9E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-11-[(2S,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]-3,5,7-trimethylundeca-1,3,7,9-tetraenyl]-2,3-dihydropyran-6-one?

The InChIKey is VZELWOASOFEVIX-SMIGAUEHSA-N. The full InChI is InChI=1S/C40H68O5Si2/c1-16-19-34-32(5)36(45-47(14,15)40(9,10)11)28-37(43-34)35(44-46(12,13)39(6,7)8)22-17-20-29(2)26-31(4)27-30(3)24-25-33-21-18-23-38(41)42-33/h16-20,22-25,27,31-37H,21,26,28H2,1-15H3/b19-16+,22-17+,25-24+,29-20+,30-27-/t31-,32-,33-,34+,35-,36-,37+/m1/s1.

What are the key properties of (2R)-2-[(1E,3Z,5R,7E,9E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-11-[(2S,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]-3,5,7-trimethylundeca-1,3,7,9-tetraenyl]-2,3-dihydropyran-6-one?

(2R)-2-[(1E,3Z,5R,7E,9E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-11-[(2S,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]-3,5,7-trimethylundeca-1,3,7,9-tetraenyl]-2,3-dihydropyran-6-one has a molecular weight of 685.15 g/mol, XLogP of 11.04, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[(1E,3Z,5R,7E,9E,11R)-11-[tert-butyl(dimethyl)silyl]oxy-11-[(2S,4R,5R,6S)-4-[tert-butyl(dimethyl)silyl]oxy-5-methyl-6-[(E)-prop-1-enyl]oxan-2-yl]-3,5,7-trimethylundeca-1,3,7,9-tetraenyl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 10842310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).