2-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraenenitrile

C27H43NOSi — CID 73195997

About 2-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraenenitrile

2-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraenenitrile (PubChem CID 73195997) has the molecular formula C27H43NOSi and a molecular weight of 425.73 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraenenitrile.

Molecular Properties

• Compound Name: 2-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraenenitrile
• PubChem CID: 73195997
• Molecular Formula: C27H43NOSi
• Molecular Weight: 425.73 g/mol
• Exact Mass: 425.31
• IUPAC Name: 2-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraenenitrile
• SMILES: CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(C#N)O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C27H43NOSi/c1-21(16-17-25-23(3)15-12-18-27(25,7)8)13-11-14-22(2)19-24(20-28)29-30(9,10)26(4,5)6/h11,13-14,16-17,19,24H,12,15,18H2,1-10H3
• InChIKey: LJKFKXGULCBZKA-UHFFFAOYSA-N
• XLogP: 8.43
• TPSA: 33.02 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	425.73
LogP ≤ 5	8.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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 2-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraenenitrile?

The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraenenitrile (CID 73195997) is 2-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraenenitrile.

What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraenenitrile?

The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraenenitrile is CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(C#N)O[Si](C)(C)C(C)(C)C.

What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraenenitrile?

The InChIKey is LJKFKXGULCBZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H43NOSi/c1-21(16-17-25-23(3)15-12-18-27(25,7)8)13-11-14-22(2)19-24(20-28)29-30(9,10)26(4,5)6/h11,13-14,16-17,19,24H,12,15,18H2,1-10H3.

What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraenenitrile?

2-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraenenitrile has a molecular weight of 425.73 g/mol, XLogP of 8.43, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[tert-butyl(dimethyl)silyl]oxy-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,5,7,9-tetraenenitrile is sourced from PubChem (CID 73195997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).