[(3Z)-3-[(4E)-8,8-dimethyl-4-(5-triethylsilylpent-1-en-4-yn-3-ylidene)-7,9-dioxaspiro[4.5]decan-2-ylidene]prop-1-ynyl]-triethylsilane

C30H48O2Si2 — CID 177479163

About [(3Z)-3-[(4E)-8,8-dimethyl-4-(5-triethylsilylpent-1-en-4-yn-3-ylidene)-7,9-dioxaspiro[4.5]decan-2-ylidene]prop-1-ynyl]-triethylsilane

[(3Z)-3-[(4E)-8,8-dimethyl-4-(5-triethylsilylpent-1-en-4-yn-3-ylidene)-7,9-dioxaspiro[4.5]decan-2-ylidene]prop-1-ynyl]-triethylsilane (PubChem CID 177479163) has the molecular formula C30H48O2Si2 and a molecular weight of 496.88 g/mol. Its IUPAC name is [(3Z)-3-[(4E)-8,8-dimethyl-4-(5-triethylsilylpent-1-en-4-yn-3-ylidene)-7,9-dioxaspiro[4.5]decan-2-ylidene]prop-1-ynyl]-triethylsilane.

Molecular Properties

• Compound Name: [(3Z)-3-[(4E)-8,8-dimethyl-4-(5-triethylsilylpent-1-en-4-yn-3-ylidene)-7,9-dioxaspiro[4.5]decan-2-ylidene]prop-1-ynyl]-triethylsilane
• PubChem CID: 177479163
• Molecular Formula: C30H48O2Si2
• Molecular Weight: 496.88 g/mol
• Exact Mass: 496.32
• IUPAC Name: [(3Z)-3-[(4E)-8,8-dimethyl-4-(5-triethylsilylpent-1-en-4-yn-3-ylidene)-7,9-dioxaspiro[4.5]decan-2-ylidene]prop-1-ynyl]-triethylsilane
• SMILES: C=C/C(C#C[Si](CC)(CC)CC)=C1/C/C(=C/C#C[Si](CC)(CC)CC)CC12COC(C)(C)OC2
• InChI: InChI=1S/C30H48O2Si2/c1-10-27(19-21-34(14-5,15-6)16-7)28-22-26(18-17-20-33(11-2,12-3)13-4)23-30(28)24-31-29(8,9)32-25-30/h10,18H,1,11-16,22-25H2,2-9H3/b26-18-,28-27+
• InChIKey: ZZVOHIFRIVENCC-SFRGRDCFSA-N
• XLogP: 8.06
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.88
LogP ≤ 5	8.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(3Z)-3-[(4E)-8,8-dimethyl-4-(5-triethylsilylpent-1-en-4-yn-3-ylidene)-7,9-dioxaspiro[4.5]decan-2-ylidene]prop-1-ynyl]-triethylsilane?

The IUPAC name of [(3Z)-3-[(4E)-8,8-dimethyl-4-(5-triethylsilylpent-1-en-4-yn-3-ylidene)-7,9-dioxaspiro[4.5]decan-2-ylidene]prop-1-ynyl]-triethylsilane (CID 177479163) is [(3Z)-3-[(4E)-8,8-dimethyl-4-(5-triethylsilylpent-1-en-4-yn-3-ylidene)-7,9-dioxaspiro[4.5]decan-2-ylidene]prop-1-ynyl]-triethylsilane.

What is the SMILES notation for [(3Z)-3-[(4E)-8,8-dimethyl-4-(5-triethylsilylpent-1-en-4-yn-3-ylidene)-7,9-dioxaspiro[4.5]decan-2-ylidene]prop-1-ynyl]-triethylsilane?

The canonical SMILES for [(3Z)-3-[(4E)-8,8-dimethyl-4-(5-triethylsilylpent-1-en-4-yn-3-ylidene)-7,9-dioxaspiro[4.5]decan-2-ylidene]prop-1-ynyl]-triethylsilane is C=C/C(C#C[Si](CC)(CC)CC)=C1/C/C(=C/C#C[Si](CC)(CC)CC)CC12COC(C)(C)OC2.

What is the InChIKey of [(3Z)-3-[(4E)-8,8-dimethyl-4-(5-triethylsilylpent-1-en-4-yn-3-ylidene)-7,9-dioxaspiro[4.5]decan-2-ylidene]prop-1-ynyl]-triethylsilane?

The InChIKey is ZZVOHIFRIVENCC-SFRGRDCFSA-N. The full InChI is InChI=1S/C30H48O2Si2/c1-10-27(19-21-34(14-5,15-6)16-7)28-22-26(18-17-20-33(11-2,12-3)13-4)23-30(28)24-31-29(8,9)32-25-30/h10,18H,1,11-16,22-25H2,2-9H3/b26-18-,28-27+.

What are the key properties of [(3Z)-3-[(4E)-8,8-dimethyl-4-(5-triethylsilylpent-1-en-4-yn-3-ylidene)-7,9-dioxaspiro[4.5]decan-2-ylidene]prop-1-ynyl]-triethylsilane?

[(3Z)-3-[(4E)-8,8-dimethyl-4-(5-triethylsilylpent-1-en-4-yn-3-ylidene)-7,9-dioxaspiro[4.5]decan-2-ylidene]prop-1-ynyl]-triethylsilane has a molecular weight of 496.88 g/mol, XLogP of 8.06, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [(3Z)-3-[(4E)-8,8-dimethyl-4-(5-triethylsilylpent-1-en-4-yn-3-ylidene)-7,9-dioxaspiro[4.5]decan-2-ylidene]prop-1-ynyl]-triethylsilane is sourced from PubChem (CID 177479163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).