trimethyl-[[(1R,2R,6R,7R,8R,9R,11Z)-3,9,12-trimethyl-6-propan-2-yl-14-oxatricyclo[6.5.1.02,7]tetradeca-3,11-dien-9-yl]oxy]silane

C22H38O2Si — CID 11728178

About trimethyl-[[(1R,2R,6R,7R,8R,9R,11Z)-3,9,12-trimethyl-6-propan-2-yl-14-oxatricyclo[6.5.1.02,7]tetradeca-3,11-dien-9-yl]oxy]silane

trimethyl-[[(1R,2R,6R,7R,8R,9R,11Z)-3,9,12-trimethyl-6-propan-2-yl-14-oxatricyclo[6.5.1.02,7]tetradeca-3,11-dien-9-yl]oxy]silane (PubChem CID 11728178) has the molecular formula C22H38O2Si and a molecular weight of 362.63 g/mol. Its IUPAC name is trimethyl-[[(1R,2R,6R,7R,8R,9R,11Z)-3,9,12-trimethyl-6-propan-2-yl-14-oxatricyclo[6.5.1.02,7]tetradeca-3,11-dien-9-yl]oxy]silane.

Molecular Properties

• Compound Name: trimethyl-[[(1R,2R,6R,7R,8R,9R,11Z)-3,9,12-trimethyl-6-propan-2-yl-14-oxatricyclo[6.5.1.02,7]tetradeca-3,11-dien-9-yl]oxy]silane
• PubChem CID: 11728178
• Molecular Formula: C22H38O2Si
• Molecular Weight: 362.63 g/mol
• Exact Mass: 362.26
• IUPAC Name: trimethyl-[[(1R,2R,6R,7R,8R,9R,11Z)-3,9,12-trimethyl-6-propan-2-yl-14-oxatricyclo[6.5.1.02,7]tetradeca-3,11-dien-9-yl]oxy]silane
• SMILES: CC1=CC[C@H](C(C)C)[C@@H]2[C@H]1[C@H]1C/C(C)=C\C[C@@](C)(O[Si](C)(C)C)[C@@H]2O1
• InChI: InChI=1S/C22H38O2Si/c1-14(2)17-10-9-16(4)19-18-13-15(3)11-12-22(5,24-25(6,7)8)21(23-18)20(17)19/h9,11,14,17-21H,10,12-13H2,1-8H3/b15-11-/t17-,18-,19-,20-,21-,22-/m1/s1
• InChIKey: BHRVJOMPZAHLEZ-BQBFPXCHSA-N
• XLogP: 5.96
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	362.63
LogP ≤ 5	5.96
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 trimethyl-[[(1R,2R,6R,7R,8R,9R,11Z)-3,9,12-trimethyl-6-propan-2-yl-14-oxatricyclo[6.5.1.02,7]tetradeca-3,11-dien-9-yl]oxy]silane?

The IUPAC name of trimethyl-[[(1R,2R,6R,7R,8R,9R,11Z)-3,9,12-trimethyl-6-propan-2-yl-14-oxatricyclo[6.5.1.02,7]tetradeca-3,11-dien-9-yl]oxy]silane (CID 11728178) is trimethyl-[[(1R,2R,6R,7R,8R,9R,11Z)-3,9,12-trimethyl-6-propan-2-yl-14-oxatricyclo[6.5.1.02,7]tetradeca-3,11-dien-9-yl]oxy]silane.

What is the SMILES notation for trimethyl-[[(1R,2R,6R,7R,8R,9R,11Z)-3,9,12-trimethyl-6-propan-2-yl-14-oxatricyclo[6.5.1.02,7]tetradeca-3,11-dien-9-yl]oxy]silane?

The canonical SMILES for trimethyl-[[(1R,2R,6R,7R,8R,9R,11Z)-3,9,12-trimethyl-6-propan-2-yl-14-oxatricyclo[6.5.1.02,7]tetradeca-3,11-dien-9-yl]oxy]silane is CC1=CC[C@H](C(C)C)[C@@H]2[C@H]1[C@H]1C/C(C)=C\C[C@@](C)(O[Si](C)(C)C)[C@@H]2O1.

What is the InChIKey of trimethyl-[[(1R,2R,6R,7R,8R,9R,11Z)-3,9,12-trimethyl-6-propan-2-yl-14-oxatricyclo[6.5.1.02,7]tetradeca-3,11-dien-9-yl]oxy]silane?

The InChIKey is BHRVJOMPZAHLEZ-BQBFPXCHSA-N. The full InChI is InChI=1S/C22H38O2Si/c1-14(2)17-10-9-16(4)19-18-13-15(3)11-12-22(5,24-25(6,7)8)21(23-18)20(17)19/h9,11,14,17-21H,10,12-13H2,1-8H3/b15-11-/t17-,18-,19-,20-,21-,22-/m1/s1.

What are the key properties of trimethyl-[[(1R,2R,6R,7R,8R,9R,11Z)-3,9,12-trimethyl-6-propan-2-yl-14-oxatricyclo[6.5.1.02,7]tetradeca-3,11-dien-9-yl]oxy]silane?

trimethyl-[[(1R,2R,6R,7R,8R,9R,11Z)-3,9,12-trimethyl-6-propan-2-yl-14-oxatricyclo[6.5.1.02,7]tetradeca-3,11-dien-9-yl]oxy]silane has a molecular weight of 362.63 g/mol, XLogP of 5.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[[(1R,2R,6R,7R,8R,9R,11Z)-3,9,12-trimethyl-6-propan-2-yl-14-oxatricyclo[6.5.1.02,7]tetradeca-3,11-dien-9-yl]oxy]silane is sourced from PubChem (CID 11728178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).