tert-butyl-[(2E,6Z,10E)-7-(diethoxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraenoxy]-dimethylsilane

C30H56O3Si — CID 10791321

About tert-butyl-[(2E,6Z,10E)-7-(diethoxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraenoxy]-dimethylsilane

tert-butyl-[(2E,6Z,10E)-7-(diethoxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraenoxy]-dimethylsilane (PubChem CID 10791321) has the molecular formula C30H56O3Si and a molecular weight of 492.86 g/mol. Its IUPAC name is tert-butyl-[(2E,6Z,10E)-7-(diethoxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraenoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(2E,6Z,10E)-7-(diethoxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraenoxy]-dimethylsilane
• PubChem CID: 10791321
• Molecular Formula: C30H56O3Si
• Molecular Weight: 492.86 g/mol
• Exact Mass: 492.40
• IUPAC Name: tert-butyl-[(2E,6Z,10E)-7-(diethoxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraenoxy]-dimethylsilane
• SMILES: CCOC(OCC)/C(=C\CC/C(C)=C/CO[Si](C)(C)C(C)(C)C)CC/C=C(\C)CCC=C(C)C
• InChI: InChI=1S/C30H56O3Si/c1-12-31-29(32-13-2)28(21-15-19-26(5)18-14-17-25(3)4)22-16-20-27(6)23-24-33-34(10,11)30(7,8)9/h17,19,22-23,29H,12-16,18,20-21,24H2,1-11H3/b26-19+,27-23+,28-22-
• InChIKey: HYFWQDJLPPUZLY-VTAZOKJLSA-N
• XLogP: 9.53
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 17
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.86
LogP ≤ 5	9.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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 tert-butyl-[(2E,6Z,10E)-7-(diethoxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraenoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[(2E,6Z,10E)-7-(diethoxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraenoxy]-dimethylsilane (CID 10791321) is tert-butyl-[(2E,6Z,10E)-7-(diethoxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraenoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[(2E,6Z,10E)-7-(diethoxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraenoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[(2E,6Z,10E)-7-(diethoxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraenoxy]-dimethylsilane is CCOC(OCC)/C(=C\CC/C(C)=C/CO[Si](C)(C)C(C)(C)C)CC/C=C(\C)CCC=C(C)C.

What is the InChIKey of tert-butyl-[(2E,6Z,10E)-7-(diethoxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraenoxy]-dimethylsilane?

The InChIKey is HYFWQDJLPPUZLY-VTAZOKJLSA-N. The full InChI is InChI=1S/C30H56O3Si/c1-12-31-29(32-13-2)28(21-15-19-26(5)18-14-17-25(3)4)22-16-20-27(6)23-24-33-34(10,11)30(7,8)9/h17,19,22-23,29H,12-16,18,20-21,24H2,1-11H3/b26-19+,27-23+,28-22-.

What are the key properties of tert-butyl-[(2E,6Z,10E)-7-(diethoxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraenoxy]-dimethylsilane?

tert-butyl-[(2E,6Z,10E)-7-(diethoxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraenoxy]-dimethylsilane has a molecular weight of 492.86 g/mol, XLogP of 9.53, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(2E,6Z,10E)-7-(diethoxymethyl)-3,11,15-trimethylhexadeca-2,6,10,14-tetraenoxy]-dimethylsilane is sourced from PubChem (CID 10791321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).