2-[(1R,2R,3S,8R,10E,14S)-14-[tert-butyl(dimethyl)silyl]oxy-6-ethoxy-10-methyl-15-oxatricyclo[6.6.1.02,7]pentadeca-6,10-dien-3-yl]propan-2-ol

C26H46O4Si — CID 71527502

About 2-[(1R,2R,3S,8R,10E,14S)-14-[tert-butyl(dimethyl)silyl]oxy-6-ethoxy-10-methyl-15-oxatricyclo[6.6.1.02,7]pentadeca-6,10-dien-3-yl]propan-2-ol

2-[(1R,2R,3S,8R,10E,14S)-14-[tert-butyl(dimethyl)silyl]oxy-6-ethoxy-10-methyl-15-oxatricyclo[6.6.1.02,7]pentadeca-6,10-dien-3-yl]propan-2-ol (PubChem CID 71527502) has the molecular formula C26H46O4Si and a molecular weight of 450.74 g/mol. Its IUPAC name is 2-[(1R,2R,3S,8R,10E,14S)-14-[tert-butyl(dimethyl)silyl]oxy-6-ethoxy-10-methyl-15-oxatricyclo[6.6.1.02,7]pentadeca-6,10-dien-3-yl]propan-2-ol.

Molecular Properties

• Compound Name: 2-[(1R,2R,3S,8R,10E,14S)-14-[tert-butyl(dimethyl)silyl]oxy-6-ethoxy-10-methyl-15-oxatricyclo[6.6.1.02,7]pentadeca-6,10-dien-3-yl]propan-2-ol
• PubChem CID: 71527502
• Molecular Formula: C26H46O4Si
• Molecular Weight: 450.74 g/mol
• Exact Mass: 450.32
• IUPAC Name: 2-[(1R,2R,3S,8R,10E,14S)-14-[tert-butyl(dimethyl)silyl]oxy-6-ethoxy-10-methyl-15-oxatricyclo[6.6.1.02,7]pentadeca-6,10-dien-3-yl]propan-2-ol
• SMILES: CCOC1=C2[C@H]([C@H]3O[C@@H]2C/C(C)=C\CC[C@@H]3O[Si](C)(C)C(C)(C)C)[C@@H](C(C)(C)O)CC1
• InChI: InChI=1S/C26H46O4Si/c1-10-28-19-15-14-18(26(6,7)27)22-23(19)21-16-17(2)12-11-13-20(24(22)29-21)30-31(8,9)25(3,4)5/h12,18,20-22,24,27H,10-11,13-16H2,1-9H3/b17-12-/t18-,20-,21+,22+,24-/m0/s1
• InChIKey: KLILFKNYAFURDV-REXNWTESSA-N
• XLogP: 6.36
• TPSA: 47.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.74
LogP ≤ 5	6.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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 2-[(1R,2R,3S,8R,10E,14S)-14-[tert-butyl(dimethyl)silyl]oxy-6-ethoxy-10-methyl-15-oxatricyclo[6.6.1.02,7]pentadeca-6,10-dien-3-yl]propan-2-ol?

The IUPAC name of 2-[(1R,2R,3S,8R,10E,14S)-14-[tert-butyl(dimethyl)silyl]oxy-6-ethoxy-10-methyl-15-oxatricyclo[6.6.1.02,7]pentadeca-6,10-dien-3-yl]propan-2-ol (CID 71527502) is 2-[(1R,2R,3S,8R,10E,14S)-14-[tert-butyl(dimethyl)silyl]oxy-6-ethoxy-10-methyl-15-oxatricyclo[6.6.1.02,7]pentadeca-6,10-dien-3-yl]propan-2-ol.

What is the SMILES notation for 2-[(1R,2R,3S,8R,10E,14S)-14-[tert-butyl(dimethyl)silyl]oxy-6-ethoxy-10-methyl-15-oxatricyclo[6.6.1.02,7]pentadeca-6,10-dien-3-yl]propan-2-ol?

The canonical SMILES for 2-[(1R,2R,3S,8R,10E,14S)-14-[tert-butyl(dimethyl)silyl]oxy-6-ethoxy-10-methyl-15-oxatricyclo[6.6.1.02,7]pentadeca-6,10-dien-3-yl]propan-2-ol is CCOC1=C2[C@H]([C@H]3O[C@@H]2C/C(C)=C\CC[C@@H]3O[Si](C)(C)C(C)(C)C)[C@@H](C(C)(C)O)CC1.

What is the InChIKey of 2-[(1R,2R,3S,8R,10E,14S)-14-[tert-butyl(dimethyl)silyl]oxy-6-ethoxy-10-methyl-15-oxatricyclo[6.6.1.02,7]pentadeca-6,10-dien-3-yl]propan-2-ol?

The InChIKey is KLILFKNYAFURDV-REXNWTESSA-N. The full InChI is InChI=1S/C26H46O4Si/c1-10-28-19-15-14-18(26(6,7)27)22-23(19)21-16-17(2)12-11-13-20(24(22)29-21)30-31(8,9)25(3,4)5/h12,18,20-22,24,27H,10-11,13-16H2,1-9H3/b17-12-/t18-,20-,21+,22+,24-/m0/s1.

What are the key properties of 2-[(1R,2R,3S,8R,10E,14S)-14-[tert-butyl(dimethyl)silyl]oxy-6-ethoxy-10-methyl-15-oxatricyclo[6.6.1.02,7]pentadeca-6,10-dien-3-yl]propan-2-ol?

2-[(1R,2R,3S,8R,10E,14S)-14-[tert-butyl(dimethyl)silyl]oxy-6-ethoxy-10-methyl-15-oxatricyclo[6.6.1.02,7]pentadeca-6,10-dien-3-yl]propan-2-ol has a molecular weight of 450.74 g/mol, XLogP of 6.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1R,2R,3S,8R,10E,14S)-14-[tert-butyl(dimethyl)silyl]oxy-6-ethoxy-10-methyl-15-oxatricyclo[6.6.1.02,7]pentadeca-6,10-dien-3-yl]propan-2-ol is sourced from PubChem (CID 71527502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).