(1Z,7E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)trideca-1,7-dien-4-ol

C23H48O2Si2 — CID 12014235

About (1Z,7E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)trideca-1,7-dien-4-ol

(1Z,7E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)trideca-1,7-dien-4-ol (PubChem CID 12014235) has the molecular formula C23H48O2Si2 and a molecular weight of 412.81 g/mol. Its IUPAC name is (1Z,7E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)trideca-1,7-dien-4-ol.

Molecular Properties

• Compound Name: (1Z,7E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)trideca-1,7-dien-4-ol
• PubChem CID: 12014235
• Molecular Formula: C23H48O2Si2
• Molecular Weight: 412.81 g/mol
• Exact Mass: 412.32
• IUPAC Name: (1Z,7E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)trideca-1,7-dien-4-ol
• SMILES: CCCCC/C=C/CCC(O)C/C(=C/O[Si](C)(C)C(C)(C)C)C[Si](C)(C)C
• InChI: InChI=1S/C23H48O2Si2/c1-10-11-12-13-14-15-16-17-22(24)18-21(20-26(5,6)7)19-25-27(8,9)23(2,3)4/h14-15,19,22,24H,10-13,16-18,20H2,1-9H3/b15-14+,21-19-
• InChIKey: VBAIYMVOBCFVEH-YNBWLJPQSA-N
• XLogP: 7.90
• TPSA: 29.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 13
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	412.81
LogP ≤ 5	7.90
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,7E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)trideca-1,7-dien-4-ol?

The IUPAC name of (1Z,7E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)trideca-1,7-dien-4-ol (CID 12014235) is (1Z,7E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)trideca-1,7-dien-4-ol.

What is the SMILES notation for (1Z,7E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)trideca-1,7-dien-4-ol?

The canonical SMILES for (1Z,7E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)trideca-1,7-dien-4-ol is CCCCC/C=C/CCC(O)C/C(=C/O[Si](C)(C)C(C)(C)C)C[Si](C)(C)C.

What is the InChIKey of (1Z,7E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)trideca-1,7-dien-4-ol?

The InChIKey is VBAIYMVOBCFVEH-YNBWLJPQSA-N. The full InChI is InChI=1S/C23H48O2Si2/c1-10-11-12-13-14-15-16-17-22(24)18-21(20-26(5,6)7)19-25-27(8,9)23(2,3)4/h14-15,19,22,24H,10-13,16-18,20H2,1-9H3/b15-14+,21-19-.

What are the key properties of (1Z,7E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)trideca-1,7-dien-4-ol?

(1Z,7E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)trideca-1,7-dien-4-ol has a molecular weight of 412.81 g/mol, XLogP of 7.90, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (1Z,7E)-1-[tert-butyl(dimethyl)silyl]oxy-2-(trimethylsilylmethyl)trideca-1,7-dien-4-ol is sourced from PubChem (CID 12014235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).