tert-butyl-[[(4Z)-3-tert-butyl-2-methyl-4-[(E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-2-enylidene]cyclobut-2-en-1-yl]methoxy]-dimethylsilane

C30H52OSi — CID 10950552

About tert-butyl-[[(4Z)-3-tert-butyl-2-methyl-4-[(E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-2-enylidene]cyclobut-2-en-1-yl]methoxy]-dimethylsilane

tert-butyl-[[(4Z)-3-tert-butyl-2-methyl-4-[(E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-2-enylidene]cyclobut-2-en-1-yl]methoxy]-dimethylsilane (PubChem CID 10950552) has the molecular formula C30H52OSi and a molecular weight of 456.83 g/mol. Its IUPAC name is tert-butyl-[[(4Z)-3-tert-butyl-2-methyl-4-[(E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-2-enylidene]cyclobut-2-en-1-yl]methoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[[(4Z)-3-tert-butyl-2-methyl-4-[(E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-2-enylidene]cyclobut-2-en-1-yl]methoxy]-dimethylsilane
• PubChem CID: 10950552
• Molecular Formula: C30H52OSi
• Molecular Weight: 456.83 g/mol
• Exact Mass: 456.38
• IUPAC Name: tert-butyl-[[(4Z)-3-tert-butyl-2-methyl-4-[(E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-2-enylidene]cyclobut-2-en-1-yl]methoxy]-dimethylsilane
• SMILES: CC1=C(C/C=C(C)/C=C2\C(C(C)(C)C)=C(C)C2CO[Si](C)(C)C(C)(C)C)C(C)(C)CCC1
• InChI: InChI=1S/C30H52OSi/c1-21(16-17-26-22(2)15-14-18-30(26,10)11)19-24-25(23(3)27(24)28(4,5)6)20-31-32(12,13)29(7,8)9/h16,19,25H,14-15,17-18,20H2,1-13H3/b21-16+,24-19-
• InChIKey: KCAOHBQSDXRTEK-JRIYSEHESA-N
• XLogP: 9.79
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.83
LogP ≤ 5	9.79
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'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[(4Z)-3-tert-butyl-2-methyl-4-[(E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-2-enylidene]cyclobut-2-en-1-yl]methoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[[(4Z)-3-tert-butyl-2-methyl-4-[(E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-2-enylidene]cyclobut-2-en-1-yl]methoxy]-dimethylsilane (CID 10950552) is tert-butyl-[[(4Z)-3-tert-butyl-2-methyl-4-[(E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-2-enylidene]cyclobut-2-en-1-yl]methoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[[(4Z)-3-tert-butyl-2-methyl-4-[(E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-2-enylidene]cyclobut-2-en-1-yl]methoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[[(4Z)-3-tert-butyl-2-methyl-4-[(E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-2-enylidene]cyclobut-2-en-1-yl]methoxy]-dimethylsilane is CC1=C(C/C=C(C)/C=C2\C(C(C)(C)C)=C(C)C2CO[Si](C)(C)C(C)(C)C)C(C)(C)CCC1.

What is the InChIKey of tert-butyl-[[(4Z)-3-tert-butyl-2-methyl-4-[(E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-2-enylidene]cyclobut-2-en-1-yl]methoxy]-dimethylsilane?

The InChIKey is KCAOHBQSDXRTEK-JRIYSEHESA-N. The full InChI is InChI=1S/C30H52OSi/c1-21(16-17-26-22(2)15-14-18-30(26,10)11)19-24-25(23(3)27(24)28(4,5)6)20-31-32(12,13)29(7,8)9/h16,19,25H,14-15,17-18,20H2,1-13H3/b21-16+,24-19-.

What are the key properties of tert-butyl-[[(4Z)-3-tert-butyl-2-methyl-4-[(E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-2-enylidene]cyclobut-2-en-1-yl]methoxy]-dimethylsilane?

tert-butyl-[[(4Z)-3-tert-butyl-2-methyl-4-[(E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-2-enylidene]cyclobut-2-en-1-yl]methoxy]-dimethylsilane has a molecular weight of 456.83 g/mol, XLogP of 9.79, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[[(4Z)-3-tert-butyl-2-methyl-4-[(E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-2-enylidene]cyclobut-2-en-1-yl]methoxy]-dimethylsilane is sourced from PubChem (CID 10950552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).