tert-butyl-[1-[(3Z)-deca-1,3-dien-5-yl]oxypent-4-en-2-yloxy]-dimethylsilane

C21H40O2Si — CID 11638910

About tert-butyl-[1-[(3Z)-deca-1,3-dien-5-yl]oxypent-4-en-2-yloxy]-dimethylsilane

tert-butyl-[1-[(3Z)-deca-1,3-dien-5-yl]oxypent-4-en-2-yloxy]-dimethylsilane (PubChem CID 11638910) has the molecular formula C21H40O2Si and a molecular weight of 352.64 g/mol. Its IUPAC name is tert-butyl-[1-[(3Z)-deca-1,3-dien-5-yl]oxypent-4-en-2-yloxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[1-[(3Z)-deca-1,3-dien-5-yl]oxypent-4-en-2-yloxy]-dimethylsilane
• PubChem CID: 11638910
• Molecular Formula: C21H40O2Si
• Molecular Weight: 352.64 g/mol
• Exact Mass: 352.28
• IUPAC Name: tert-butyl-[1-[(3Z)-deca-1,3-dien-5-yl]oxypent-4-en-2-yloxy]-dimethylsilane
• SMILES: C=C/C=C\C(CCCCC)OCC(CC=C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C21H40O2Si/c1-9-12-14-17-19(16-13-10-2)22-18-20(15-11-3)23-24(7,8)21(4,5)6/h10-11,13,16,19-20H,2-3,9,12,14-15,17-18H2,1,4-8H3/b16-13-
• InChIKey: YYHLFNLGIVBZNE-SSZFMOIBSA-N
• XLogP: 6.66
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 13
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	352.64
LogP ≤ 5	6.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-[(3Z)-deca-1,3-dien-5-yl]oxypent-4-en-2-yloxy]-dimethylsilane?

The IUPAC name of tert-butyl-[1-[(3Z)-deca-1,3-dien-5-yl]oxypent-4-en-2-yloxy]-dimethylsilane (CID 11638910) is tert-butyl-[1-[(3Z)-deca-1,3-dien-5-yl]oxypent-4-en-2-yloxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[1-[(3Z)-deca-1,3-dien-5-yl]oxypent-4-en-2-yloxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[1-[(3Z)-deca-1,3-dien-5-yl]oxypent-4-en-2-yloxy]-dimethylsilane is C=C/C=C\C(CCCCC)OCC(CC=C)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of tert-butyl-[1-[(3Z)-deca-1,3-dien-5-yl]oxypent-4-en-2-yloxy]-dimethylsilane?

The InChIKey is YYHLFNLGIVBZNE-SSZFMOIBSA-N. The full InChI is InChI=1S/C21H40O2Si/c1-9-12-14-17-19(16-13-10-2)22-18-20(15-11-3)23-24(7,8)21(4,5)6/h10-11,13,16,19-20H,2-3,9,12,14-15,17-18H2,1,4-8H3/b16-13-.

What are the key properties of tert-butyl-[1-[(3Z)-deca-1,3-dien-5-yl]oxypent-4-en-2-yloxy]-dimethylsilane?

tert-butyl-[1-[(3Z)-deca-1,3-dien-5-yl]oxypent-4-en-2-yloxy]-dimethylsilane has a molecular weight of 352.64 g/mol, XLogP of 6.66, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[1-[(3Z)-deca-1,3-dien-5-yl]oxypent-4-en-2-yloxy]-dimethylsilane is sourced from PubChem (CID 11638910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).