(6E)-8-[4-[tert-butyl(dimethyl)silyl]oxy-1,7-dioxaspiro[5.5]undecan-2-yl]-5-(methoxymethoxy)-4,6-dimethylocta-1,6-dien-3-ol

C27H50O6Si — CID 14422794

About (6E)-8-[4-[tert-butyl(dimethyl)silyl]oxy-1,7-dioxaspiro[5.5]undecan-2-yl]-5-(methoxymethoxy)-4,6-dimethylocta-1,6-dien-3-ol

(6E)-8-[4-[tert-butyl(dimethyl)silyl]oxy-1,7-dioxaspiro[5.5]undecan-2-yl]-5-(methoxymethoxy)-4,6-dimethylocta-1,6-dien-3-ol (PubChem CID 14422794) has the molecular formula C27H50O6Si and a molecular weight of 498.78 g/mol. Its IUPAC name is (6E)-8-[4-[tert-butyl(dimethyl)silyl]oxy-1,7-dioxaspiro[5.5]undecan-2-yl]-5-(methoxymethoxy)-4,6-dimethylocta-1,6-dien-3-ol.

Molecular Properties

• Compound Name: (6E)-8-[4-[tert-butyl(dimethyl)silyl]oxy-1,7-dioxaspiro[5.5]undecan-2-yl]-5-(methoxymethoxy)-4,6-dimethylocta-1,6-dien-3-ol
• PubChem CID: 14422794
• Molecular Formula: C27H50O6Si
• Molecular Weight: 498.78 g/mol
• Exact Mass: 498.34
• IUPAC Name: (6E)-8-[4-[tert-butyl(dimethyl)silyl]oxy-1,7-dioxaspiro[5.5]undecan-2-yl]-5-(methoxymethoxy)-4,6-dimethylocta-1,6-dien-3-ol
• SMILES: C=CC(O)C(C)C(OCOC)/C(C)=C/CC1CC(O[Si](C)(C)C(C)(C)C)CC2(CCCCO2)O1
• InChI: InChI=1S/C27H50O6Si/c1-10-24(28)21(3)25(30-19-29-7)20(2)13-14-22-17-23(33-34(8,9)26(4,5)6)18-27(32-22)15-11-12-16-31-27/h10,13,21-25,28H,1,11-12,14-19H2,2-9H3/b20-13+
• InChIKey: DBWUKJMEAKDAJA-DEDYPNTBSA-N
• XLogP: 5.96
• TPSA: 66.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.78
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'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 (6E)-8-[4-[tert-butyl(dimethyl)silyl]oxy-1,7-dioxaspiro[5.5]undecan-2-yl]-5-(methoxymethoxy)-4,6-dimethylocta-1,6-dien-3-ol?

The IUPAC name of (6E)-8-[4-[tert-butyl(dimethyl)silyl]oxy-1,7-dioxaspiro[5.5]undecan-2-yl]-5-(methoxymethoxy)-4,6-dimethylocta-1,6-dien-3-ol (CID 14422794) is (6E)-8-[4-[tert-butyl(dimethyl)silyl]oxy-1,7-dioxaspiro[5.5]undecan-2-yl]-5-(methoxymethoxy)-4,6-dimethylocta-1,6-dien-3-ol.

What is the SMILES notation for (6E)-8-[4-[tert-butyl(dimethyl)silyl]oxy-1,7-dioxaspiro[5.5]undecan-2-yl]-5-(methoxymethoxy)-4,6-dimethylocta-1,6-dien-3-ol?

The canonical SMILES for (6E)-8-[4-[tert-butyl(dimethyl)silyl]oxy-1,7-dioxaspiro[5.5]undecan-2-yl]-5-(methoxymethoxy)-4,6-dimethylocta-1,6-dien-3-ol is C=CC(O)C(C)C(OCOC)/C(C)=C/CC1CC(O[Si](C)(C)C(C)(C)C)CC2(CCCCO2)O1.

What is the InChIKey of (6E)-8-[4-[tert-butyl(dimethyl)silyl]oxy-1,7-dioxaspiro[5.5]undecan-2-yl]-5-(methoxymethoxy)-4,6-dimethylocta-1,6-dien-3-ol?

The InChIKey is DBWUKJMEAKDAJA-DEDYPNTBSA-N. The full InChI is InChI=1S/C27H50O6Si/c1-10-24(28)21(3)25(30-19-29-7)20(2)13-14-22-17-23(33-34(8,9)26(4,5)6)18-27(32-22)15-11-12-16-31-27/h10,13,21-25,28H,1,11-12,14-19H2,2-9H3/b20-13+.

What are the key properties of (6E)-8-[4-[tert-butyl(dimethyl)silyl]oxy-1,7-dioxaspiro[5.5]undecan-2-yl]-5-(methoxymethoxy)-4,6-dimethylocta-1,6-dien-3-ol?

(6E)-8-[4-[tert-butyl(dimethyl)silyl]oxy-1,7-dioxaspiro[5.5]undecan-2-yl]-5-(methoxymethoxy)-4,6-dimethylocta-1,6-dien-3-ol has a molecular weight of 498.78 g/mol, XLogP of 5.96, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6E)-8-[4-[tert-butyl(dimethyl)silyl]oxy-1,7-dioxaspiro[5.5]undecan-2-yl]-5-(methoxymethoxy)-4,6-dimethylocta-1,6-dien-3-ol is sourced from PubChem (CID 14422794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).