(2R,3R,4Z,6R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-2,4,6-trimethyl-3-triethylsilyloxydeca-4,9-dien-1-ol

C26H54O4Si2 — CID 11785052

About (2R,3R,4Z,6R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-2,4,6-trimethyl-3-triethylsilyloxydeca-4,9-dien-1-ol

(2R,3R,4Z,6R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-2,4,6-trimethyl-3-triethylsilyloxydeca-4,9-dien-1-ol (PubChem CID 11785052) has the molecular formula C26H54O4Si2 and a molecular weight of 486.89 g/mol. Its IUPAC name is (2R,3R,4Z,6R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-2,4,6-trimethyl-3-triethylsilyloxydeca-4,9-dien-1-ol.

Molecular Properties

• Compound Name: (2R,3R,4Z,6R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-2,4,6-trimethyl-3-triethylsilyloxydeca-4,9-dien-1-ol
• PubChem CID: 11785052
• Molecular Formula: C26H54O4Si2
• Molecular Weight: 486.89 g/mol
• Exact Mass: 486.36
• IUPAC Name: (2R,3R,4Z,6R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-2,4,6-trimethyl-3-triethylsilyloxydeca-4,9-dien-1-ol
• SMILES: C=C[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C(/C)[C@H](O[Si](CC)(CC)CC)[C@H](C)CO
• InChI: InChI=1S/C26H54O4Si2/c1-14-23(28-11)25(29-31(12,13)26(8,9)10)21(6)18-20(5)24(22(7)19-27)30-32(15-2,16-3)17-4/h14,18,21-25,27H,1,15-17,19H2,2-13H3/b20-18-/t21-,22-,23+,24+,25+/m1/s1
• InChIKey: UUNLOKYUQFLOHR-GLTZYJCRSA-N
• XLogP: 7.18
• TPSA: 47.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 15
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.89
LogP ≤ 5	7.18
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 (2R,3R,4Z,6R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-2,4,6-trimethyl-3-triethylsilyloxydeca-4,9-dien-1-ol?

The IUPAC name of (2R,3R,4Z,6R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-2,4,6-trimethyl-3-triethylsilyloxydeca-4,9-dien-1-ol (CID 11785052) is (2R,3R,4Z,6R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-2,4,6-trimethyl-3-triethylsilyloxydeca-4,9-dien-1-ol.

What is the SMILES notation for (2R,3R,4Z,6R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-2,4,6-trimethyl-3-triethylsilyloxydeca-4,9-dien-1-ol?

The canonical SMILES for (2R,3R,4Z,6R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-2,4,6-trimethyl-3-triethylsilyloxydeca-4,9-dien-1-ol is C=C[C@H](OC)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C(/C)[C@H](O[Si](CC)(CC)CC)[C@H](C)CO.

What is the InChIKey of (2R,3R,4Z,6R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-2,4,6-trimethyl-3-triethylsilyloxydeca-4,9-dien-1-ol?

The InChIKey is UUNLOKYUQFLOHR-GLTZYJCRSA-N. The full InChI is InChI=1S/C26H54O4Si2/c1-14-23(28-11)25(29-31(12,13)26(8,9)10)21(6)18-20(5)24(22(7)19-27)30-32(15-2,16-3)17-4/h14,18,21-25,27H,1,15-17,19H2,2-13H3/b20-18-/t21-,22-,23+,24+,25+/m1/s1.

What are the key properties of (2R,3R,4Z,6R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-2,4,6-trimethyl-3-triethylsilyloxydeca-4,9-dien-1-ol?

(2R,3R,4Z,6R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-2,4,6-trimethyl-3-triethylsilyloxydeca-4,9-dien-1-ol has a molecular weight of 486.89 g/mol, XLogP of 7.18, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4Z,6R,7S,8S)-7-[tert-butyl(dimethyl)silyl]oxy-8-methoxy-2,4,6-trimethyl-3-triethylsilyloxydeca-4,9-dien-1-ol is sourced from PubChem (CID 11785052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).