[(2E)-1-(8,8-dimethyl-4,5,6,7-tetrahydro-1H-naphthalen-2-yl)-3-methylpenta-2,4-dienoxy]-trimethylsilane

C21H34OSi — CID 10496686

About [(2E)-1-(8,8-dimethyl-4,5,6,7-tetrahydro-1H-naphthalen-2-yl)-3-methylpenta-2,4-dienoxy]-trimethylsilane

[(2E)-1-(8,8-dimethyl-4,5,6,7-tetrahydro-1H-naphthalen-2-yl)-3-methylpenta-2,4-dienoxy]-trimethylsilane (PubChem CID 10496686) has the molecular formula C21H34OSi and a molecular weight of 330.59 g/mol. Its IUPAC name is [(2E)-1-(8,8-dimethyl-4,5,6,7-tetrahydro-1H-naphthalen-2-yl)-3-methylpenta-2,4-dienoxy]-trimethylsilane.

Molecular Properties

• Compound Name: [(2E)-1-(8,8-dimethyl-4,5,6,7-tetrahydro-1H-naphthalen-2-yl)-3-methylpenta-2,4-dienoxy]-trimethylsilane
• PubChem CID: 10496686
• Molecular Formula: C21H34OSi
• Molecular Weight: 330.59 g/mol
• Exact Mass: 330.24
• IUPAC Name: [(2E)-1-(8,8-dimethyl-4,5,6,7-tetrahydro-1H-naphthalen-2-yl)-3-methylpenta-2,4-dienoxy]-trimethylsilane
• SMILES: C=C/C(C)=C/C(O[Si](C)(C)C)C1=CCC2=C(C1)C(C)(C)CCC2
• InChI: InChI=1S/C21H34OSi/c1-8-16(2)14-20(22-23(5,6)7)18-12-11-17-10-9-13-21(3,4)19(17)15-18/h8,12,14,20H,1,9-11,13,15H2,2-7H3/b16-14+
• InChIKey: OQCPFCUGIDGGAN-JQIJEIRASA-N
• XLogP: 6.57
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	330.59
LogP ≤ 5	6.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'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 [(2E)-1-(8,8-dimethyl-4,5,6,7-tetrahydro-1H-naphthalen-2-yl)-3-methylpenta-2,4-dienoxy]-trimethylsilane?

The IUPAC name of [(2E)-1-(8,8-dimethyl-4,5,6,7-tetrahydro-1H-naphthalen-2-yl)-3-methylpenta-2,4-dienoxy]-trimethylsilane (CID 10496686) is [(2E)-1-(8,8-dimethyl-4,5,6,7-tetrahydro-1H-naphthalen-2-yl)-3-methylpenta-2,4-dienoxy]-trimethylsilane.

What is the SMILES notation for [(2E)-1-(8,8-dimethyl-4,5,6,7-tetrahydro-1H-naphthalen-2-yl)-3-methylpenta-2,4-dienoxy]-trimethylsilane?

The canonical SMILES for [(2E)-1-(8,8-dimethyl-4,5,6,7-tetrahydro-1H-naphthalen-2-yl)-3-methylpenta-2,4-dienoxy]-trimethylsilane is C=C/C(C)=C/C(O[Si](C)(C)C)C1=CCC2=C(C1)C(C)(C)CCC2.

What is the InChIKey of [(2E)-1-(8,8-dimethyl-4,5,6,7-tetrahydro-1H-naphthalen-2-yl)-3-methylpenta-2,4-dienoxy]-trimethylsilane?

The InChIKey is OQCPFCUGIDGGAN-JQIJEIRASA-N. The full InChI is InChI=1S/C21H34OSi/c1-8-16(2)14-20(22-23(5,6)7)18-12-11-17-10-9-13-21(3,4)19(17)15-18/h8,12,14,20H,1,9-11,13,15H2,2-7H3/b16-14+.

What are the key properties of [(2E)-1-(8,8-dimethyl-4,5,6,7-tetrahydro-1H-naphthalen-2-yl)-3-methylpenta-2,4-dienoxy]-trimethylsilane?

[(2E)-1-(8,8-dimethyl-4,5,6,7-tetrahydro-1H-naphthalen-2-yl)-3-methylpenta-2,4-dienoxy]-trimethylsilane has a molecular weight of 330.59 g/mol, XLogP of 6.57, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [(2E)-1-(8,8-dimethyl-4,5,6,7-tetrahydro-1H-naphthalen-2-yl)-3-methylpenta-2,4-dienoxy]-trimethylsilane is sourced from PubChem (CID 10496686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).