tert-butyl-[(2E,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]-dimethylsilane

C26H44OSi — CID 10905468

About tert-butyl-[(2E,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]-dimethylsilane

tert-butyl-[(2E,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]-dimethylsilane (PubChem CID 10905468) has the molecular formula C26H44OSi and a molecular weight of 400.72 g/mol. Its IUPAC name is tert-butyl-[(2E,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]-dimethylsilane.

Molecular Properties

• Compound Name: tert-butyl-[(2E,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]-dimethylsilane
• PubChem CID: 10905468
• Molecular Formula: C26H44OSi
• Molecular Weight: 400.72 g/mol
• Exact Mass: 400.32
• IUPAC Name: tert-butyl-[(2E,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]-dimethylsilane
• SMILES: CC1=C(/C=C/C(C)=C/C=C\C(C)=C\CO[Si](C)(C)C(C)(C)C)C(C)(C)CCC1
• InChI: InChI=1S/C26H44OSi/c1-21(16-17-24-23(3)15-12-19-26(24,7)8)13-11-14-22(2)18-20-27-28(9,10)25(4,5)6/h11,13-14,16-18H,12,15,19-20H2,1-10H3/b14-11-,17-16+,21-13+,22-18+
• InChIKey: MXLHWHHSTDVNQC-KMYDTGTFSA-N
• XLogP: 8.54
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	400.72
LogP ≤ 5	8.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2E,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]-dimethylsilane?

The IUPAC name of tert-butyl-[(2E,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]-dimethylsilane (CID 10905468) is tert-butyl-[(2E,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]-dimethylsilane.

What is the SMILES notation for tert-butyl-[(2E,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]-dimethylsilane?

The canonical SMILES for tert-butyl-[(2E,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]-dimethylsilane is CC1=C(/C=C/C(C)=C/C=C\C(C)=C\CO[Si](C)(C)C(C)(C)C)C(C)(C)CCC1.

What is the InChIKey of tert-butyl-[(2E,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]-dimethylsilane?

The InChIKey is MXLHWHHSTDVNQC-KMYDTGTFSA-N. The full InChI is InChI=1S/C26H44OSi/c1-21(16-17-24-23(3)15-12-19-26(24,7)8)13-11-14-22(2)18-20-27-28(9,10)25(4,5)6/h11,13-14,16-18H,12,15,19-20H2,1-10H3/b14-11-,17-16+,21-13+,22-18+.

What are the key properties of tert-butyl-[(2E,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]-dimethylsilane?

tert-butyl-[(2E,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]-dimethylsilane has a molecular weight of 400.72 g/mol, XLogP of 8.54, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[(2E,4Z,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoxy]-dimethylsilane is sourced from PubChem (CID 10905468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).