(2E,4R,5S,6R,7R,8S,10E)-7-[tert-butyl(dimethyl)silyl]oxy-12-(methoxymethoxy)-2,4,6,8,10-pentamethyldodeca-2,10-diene-1,5-diol

C25H50O5Si — CID 11059560

About (2E,4R,5S,6R,7R,8S,10E)-7-[tert-butyl(dimethyl)silyl]oxy-12-(methoxymethoxy)-2,4,6,8,10-pentamethyldodeca-2,10-diene-1,5-diol

(2E,4R,5S,6R,7R,8S,10E)-7-[tert-butyl(dimethyl)silyl]oxy-12-(methoxymethoxy)-2,4,6,8,10-pentamethyldodeca-2,10-diene-1,5-diol (PubChem CID 11059560) has the molecular formula C25H50O5Si and a molecular weight of 458.76 g/mol. Its IUPAC name is (2E,4R,5S,6R,7R,8S,10E)-7-[tert-butyl(dimethyl)silyl]oxy-12-(methoxymethoxy)-2,4,6,8,10-pentamethyldodeca-2,10-diene-1,5-diol.

Molecular Properties

• Compound Name: (2E,4R,5S,6R,7R,8S,10E)-7-[tert-butyl(dimethyl)silyl]oxy-12-(methoxymethoxy)-2,4,6,8,10-pentamethyldodeca-2,10-diene-1,5-diol
• PubChem CID: 11059560
• Molecular Formula: C25H50O5Si
• Molecular Weight: 458.76 g/mol
• Exact Mass: 458.34
• IUPAC Name: (2E,4R,5S,6R,7R,8S,10E)-7-[tert-butyl(dimethyl)silyl]oxy-12-(methoxymethoxy)-2,4,6,8,10-pentamethyldodeca-2,10-diene-1,5-diol
• SMILES: COCOC/C=C(\C)C[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H](O)[C@H](C)/C=C(\C)CO
• InChI: InChI=1S/C25H50O5Si/c1-18(12-13-29-17-28-9)14-21(4)24(30-31(10,11)25(6,7)8)22(5)23(27)20(3)15-19(2)16-26/h12,15,20-24,26-27H,13-14,16-17H2,1-11H3/b18-12+,19-15+/t20-,21+,22-,23+,24-/m1/s1
• InChIKey: OSICTEUMTOFNGK-SOUQDWPCSA-N
• XLogP: 5.54
• TPSA: 68.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 14
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.76
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

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 (2E,4R,5S,6R,7R,8S,10E)-7-[tert-butyl(dimethyl)silyl]oxy-12-(methoxymethoxy)-2,4,6,8,10-pentamethyldodeca-2,10-diene-1,5-diol?

The IUPAC name of (2E,4R,5S,6R,7R,8S,10E)-7-[tert-butyl(dimethyl)silyl]oxy-12-(methoxymethoxy)-2,4,6,8,10-pentamethyldodeca-2,10-diene-1,5-diol (CID 11059560) is (2E,4R,5S,6R,7R,8S,10E)-7-[tert-butyl(dimethyl)silyl]oxy-12-(methoxymethoxy)-2,4,6,8,10-pentamethyldodeca-2,10-diene-1,5-diol.

What is the SMILES notation for (2E,4R,5S,6R,7R,8S,10E)-7-[tert-butyl(dimethyl)silyl]oxy-12-(methoxymethoxy)-2,4,6,8,10-pentamethyldodeca-2,10-diene-1,5-diol?

The canonical SMILES for (2E,4R,5S,6R,7R,8S,10E)-7-[tert-butyl(dimethyl)silyl]oxy-12-(methoxymethoxy)-2,4,6,8,10-pentamethyldodeca-2,10-diene-1,5-diol is COCOC/C=C(\C)C[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@@H](O)[C@H](C)/C=C(\C)CO.

What is the InChIKey of (2E,4R,5S,6R,7R,8S,10E)-7-[tert-butyl(dimethyl)silyl]oxy-12-(methoxymethoxy)-2,4,6,8,10-pentamethyldodeca-2,10-diene-1,5-diol?

The InChIKey is OSICTEUMTOFNGK-SOUQDWPCSA-N. The full InChI is InChI=1S/C25H50O5Si/c1-18(12-13-29-17-28-9)14-21(4)24(30-31(10,11)25(6,7)8)22(5)23(27)20(3)15-19(2)16-26/h12,15,20-24,26-27H,13-14,16-17H2,1-11H3/b18-12+,19-15+/t20-,21+,22-,23+,24-/m1/s1.

What are the key properties of (2E,4R,5S,6R,7R,8S,10E)-7-[tert-butyl(dimethyl)silyl]oxy-12-(methoxymethoxy)-2,4,6,8,10-pentamethyldodeca-2,10-diene-1,5-diol?

(2E,4R,5S,6R,7R,8S,10E)-7-[tert-butyl(dimethyl)silyl]oxy-12-(methoxymethoxy)-2,4,6,8,10-pentamethyldodeca-2,10-diene-1,5-diol has a molecular weight of 458.76 g/mol, XLogP of 5.54, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,4R,5S,6R,7R,8S,10E)-7-[tert-butyl(dimethyl)silyl]oxy-12-(methoxymethoxy)-2,4,6,8,10-pentamethyldodeca-2,10-diene-1,5-diol is sourced from PubChem (CID 11059560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).