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

C22H42O2Si — CID 11696305

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

tert-butyl-[1-[(3Z)-deca-1,3-dien-5-yl]oxy-4-methylpent-3-en-2-yl]oxy-dimethylsilane (PubChem CID 11696305) has the molecular formula C22H42O2Si and a molecular weight of 366.66 g/mol. Its IUPAC name is tert-butyl-[1-[(3Z)-deca-1,3-dien-5-yl]oxy-4-methylpent-3-en-2-yl]oxy-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[1-[(3Z)-deca-1,3-dien-5-yl]oxy-4-methylpent-3-en-2-yl]oxy-dimethylsilane
• PubChem CID: 11696305
• Molecular Formula: C22H42O2Si
• Molecular Weight: 366.66 g/mol
• Exact Mass: 366.30
• IUPAC Name: tert-butyl-[1-[(3Z)-deca-1,3-dien-5-yl]oxy-4-methylpent-3-en-2-yl]oxy-dimethylsilane
• SMILES: C=C/C=C\C(CCCCC)OCC(C=C(C)C)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C22H42O2Si/c1-10-12-14-16-20(15-13-11-2)23-18-21(17-19(3)4)24-25(8,9)22(5,6)7/h11,13,15,17,20-21H,2,10,12,14,16,18H2,1,3-9H3/b15-13-
• InChIKey: IGQASZXQPXAMBH-SQFISAMPSA-N
• XLogP: 7.05
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 12
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	366.66
LogP ≤ 5	7.05
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]oxy-4-methylpent-3-en-2-yl]oxy-dimethylsilane?

The IUPAC name of tert-butyl-[1-[(3Z)-deca-1,3-dien-5-yl]oxy-4-methylpent-3-en-2-yl]oxy-dimethylsilane (CID 11696305) is tert-butyl-[1-[(3Z)-deca-1,3-dien-5-yl]oxy-4-methylpent-3-en-2-yl]oxy-dimethylsilane.

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

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

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

The InChIKey is IGQASZXQPXAMBH-SQFISAMPSA-N. The full InChI is InChI=1S/C22H42O2Si/c1-10-12-14-16-20(15-13-11-2)23-18-21(17-19(3)4)24-25(8,9)22(5,6)7/h11,13,15,17,20-21H,2,10,12,14,16,18H2,1,3-9H3/b15-13-.

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

tert-butyl-[1-[(3Z)-deca-1,3-dien-5-yl]oxy-4-methylpent-3-en-2-yl]oxy-dimethylsilane has a molecular weight of 366.66 g/mol, XLogP of 7.05, 12 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]oxy-4-methylpent-3-en-2-yl]oxy-dimethylsilane is sourced from PubChem (CID 11696305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).