(1R,2S,3E,7E,11R,12R,15R)-2-[tert-butyl(dimethyl)silyl]oxy-4,8,11,12-tetramethylbicyclo[9.3.1]pentadeca-3,7-diene-15-carbonitrile

C26H45NOSi — CID 134886941

About (1R,2S,3E,7E,11R,12R,15R)-2-[tert-butyl(dimethyl)silyl]oxy-4,8,11,12-tetramethylbicyclo[9.3.1]pentadeca-3,7-diene-15-carbonitrile

(1R,2S,3E,7E,11R,12R,15R)-2-[tert-butyl(dimethyl)silyl]oxy-4,8,11,12-tetramethylbicyclo[9.3.1]pentadeca-3,7-diene-15-carbonitrile (PubChem CID 134886941) has the molecular formula C26H45NOSi and a molecular weight of 415.74 g/mol. Its IUPAC name is (1R,2S,3E,7E,11R,12R,15R)-2-[tert-butyl(dimethyl)silyl]oxy-4,8,11,12-tetramethylbicyclo[9.3.1]pentadeca-3,7-diene-15-carbonitrile.

Molecular Properties

• Compound Name: (1R,2S,3E,7E,11R,12R,15R)-2-[tert-butyl(dimethyl)silyl]oxy-4,8,11,12-tetramethylbicyclo[9.3.1]pentadeca-3,7-diene-15-carbonitrile
• PubChem CID: 134886941
• Molecular Formula: C26H45NOSi
• Molecular Weight: 415.74 g/mol
• Exact Mass: 415.33
• IUPAC Name: (1R,2S,3E,7E,11R,12R,15R)-2-[tert-butyl(dimethyl)silyl]oxy-4,8,11,12-tetramethylbicyclo[9.3.1]pentadeca-3,7-diene-15-carbonitrile
• SMILES: C/C1=C\[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2CC[C@@H](C)[C@@](C)(CC/C(C)=C/CC1)[C@@H]2C#N
• InChI: InChI=1S/C26H45NOSi/c1-19-11-10-12-20(2)17-24(28-29(8,9)25(4,5)6)22-14-13-21(3)26(7,16-15-19)23(22)18-27/h11,17,21-24H,10,12-16H2,1-9H3/b19-11+,20-17+/t21-,22-,23-,24-,26-/m1/s1
• InChIKey: LXTLYXSWDMQCIO-FIXQRNRRSA-N
• XLogP: 8.04
• TPSA: 33.02 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	415.74
LogP ≤ 5	8.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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 (1R,2S,3E,7E,11R,12R,15R)-2-[tert-butyl(dimethyl)silyl]oxy-4,8,11,12-tetramethylbicyclo[9.3.1]pentadeca-3,7-diene-15-carbonitrile?

The IUPAC name of (1R,2S,3E,7E,11R,12R,15R)-2-[tert-butyl(dimethyl)silyl]oxy-4,8,11,12-tetramethylbicyclo[9.3.1]pentadeca-3,7-diene-15-carbonitrile (CID 134886941) is (1R,2S,3E,7E,11R,12R,15R)-2-[tert-butyl(dimethyl)silyl]oxy-4,8,11,12-tetramethylbicyclo[9.3.1]pentadeca-3,7-diene-15-carbonitrile.

What is the SMILES notation for (1R,2S,3E,7E,11R,12R,15R)-2-[tert-butyl(dimethyl)silyl]oxy-4,8,11,12-tetramethylbicyclo[9.3.1]pentadeca-3,7-diene-15-carbonitrile?

The canonical SMILES for (1R,2S,3E,7E,11R,12R,15R)-2-[tert-butyl(dimethyl)silyl]oxy-4,8,11,12-tetramethylbicyclo[9.3.1]pentadeca-3,7-diene-15-carbonitrile is C/C1=C\[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]2CC[C@@H](C)[C@@](C)(CC/C(C)=C/CC1)[C@@H]2C#N.

What is the InChIKey of (1R,2S,3E,7E,11R,12R,15R)-2-[tert-butyl(dimethyl)silyl]oxy-4,8,11,12-tetramethylbicyclo[9.3.1]pentadeca-3,7-diene-15-carbonitrile?

The InChIKey is LXTLYXSWDMQCIO-FIXQRNRRSA-N. The full InChI is InChI=1S/C26H45NOSi/c1-19-11-10-12-20(2)17-24(28-29(8,9)25(4,5)6)22-14-13-21(3)26(7,16-15-19)23(22)18-27/h11,17,21-24H,10,12-16H2,1-9H3/b19-11+,20-17+/t21-,22-,23-,24-,26-/m1/s1.

What are the key properties of (1R,2S,3E,7E,11R,12R,15R)-2-[tert-butyl(dimethyl)silyl]oxy-4,8,11,12-tetramethylbicyclo[9.3.1]pentadeca-3,7-diene-15-carbonitrile?

(1R,2S,3E,7E,11R,12R,15R)-2-[tert-butyl(dimethyl)silyl]oxy-4,8,11,12-tetramethylbicyclo[9.3.1]pentadeca-3,7-diene-15-carbonitrile has a molecular weight of 415.74 g/mol, XLogP of 8.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,2S,3E,7E,11R,12R,15R)-2-[tert-butyl(dimethyl)silyl]oxy-4,8,11,12-tetramethylbicyclo[9.3.1]pentadeca-3,7-diene-15-carbonitrile is sourced from PubChem (CID 134886941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).