(1Z,6E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)dodeca-1,6-dien-4-ol

C22H46O2Si2 — CID 134879006

About (1Z,6E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)dodeca-1,6-dien-4-ol

(1Z,6E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)dodeca-1,6-dien-4-ol (PubChem CID 134879006) has the molecular formula C22H46O2Si2 and a molecular weight of 398.78 g/mol. Its IUPAC name is (1Z,6E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)dodeca-1,6-dien-4-ol.

Molecular Properties

• Compound Name: (1Z,6E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)dodeca-1,6-dien-4-ol
• PubChem CID: 134879006
• Molecular Formula: C22H46O2Si2
• Molecular Weight: 398.78 g/mol
• Exact Mass: 398.30
• IUPAC Name: (1Z,6E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)dodeca-1,6-dien-4-ol
• SMILES: CCCCC/C=C/CC(O)C/C(=C/O[Si](C)(C)C(C)(C)C)C[Si](C)(C)C
• InChI: InChI=1S/C22H46O2Si2/c1-10-11-12-13-14-15-16-21(23)17-20(19-25(5,6)7)18-24-26(8,9)22(2,3)4/h14-15,18,21,23H,10-13,16-17,19H2,1-9H3/b15-14+,20-18-
• InChIKey: PJUSILQDZXHANY-MWYSXRBFSA-N
• XLogP: 7.51
• TPSA: 29.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	398.78
LogP ≤ 5	7.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1Z,6E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)dodeca-1,6-dien-4-ol?

The IUPAC name of (1Z,6E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)dodeca-1,6-dien-4-ol (CID 134879006) is (1Z,6E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)dodeca-1,6-dien-4-ol.

What is the SMILES notation for (1Z,6E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)dodeca-1,6-dien-4-ol?

The canonical SMILES for (1Z,6E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)dodeca-1,6-dien-4-ol is CCCCC/C=C/CC(O)C/C(=C/O[Si](C)(C)C(C)(C)C)C[Si](C)(C)C.

What is the InChIKey of (1Z,6E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)dodeca-1,6-dien-4-ol?

The InChIKey is PJUSILQDZXHANY-MWYSXRBFSA-N. The full InChI is InChI=1S/C22H46O2Si2/c1-10-11-12-13-14-15-16-21(23)17-20(19-25(5,6)7)18-24-26(8,9)22(2,3)4/h14-15,18,21,23H,10-13,16-17,19H2,1-9H3/b15-14+,20-18-.

What are the key properties of (1Z,6E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)dodeca-1,6-dien-4-ol?

(1Z,6E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)dodeca-1,6-dien-4-ol has a molecular weight of 398.78 g/mol, XLogP of 7.51, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (1Z,6E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)dodeca-1,6-dien-4-ol is sourced from PubChem (CID 134879006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).