tert-butyl-dimethyl-[(2E,4R,5R,6E,8E)-3,5,7-trimethyl-10-(2-methyloxiran-2-yl)deca-2,6,8-trien-4-yl]oxysilane

C22H40O2Si — CID 102384622

About tert-butyl-dimethyl-[(2E,4R,5R,6E,8E)-3,5,7-trimethyl-10-(2-methyloxiran-2-yl)deca-2,6,8-trien-4-yl]oxysilane

tert-butyl-dimethyl-[(2E,4R,5R,6E,8E)-3,5,7-trimethyl-10-(2-methyloxiran-2-yl)deca-2,6,8-trien-4-yl]oxysilane (PubChem CID 102384622) has the molecular formula C22H40O2Si and a molecular weight of 364.65 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2E,4R,5R,6E,8E)-3,5,7-trimethyl-10-(2-methyloxiran-2-yl)deca-2,6,8-trien-4-yl]oxysilane.

Molecular Properties

• Compound Name: tert-butyl-dimethyl-[(2E,4R,5R,6E,8E)-3,5,7-trimethyl-10-(2-methyloxiran-2-yl)deca-2,6,8-trien-4-yl]oxysilane
• PubChem CID: 102384622
• Molecular Formula: C22H40O2Si
• Molecular Weight: 364.65 g/mol
• Exact Mass: 364.28
• IUPAC Name: tert-butyl-dimethyl-[(2E,4R,5R,6E,8E)-3,5,7-trimethyl-10-(2-methyloxiran-2-yl)deca-2,6,8-trien-4-yl]oxysilane
• SMILES: C/C=C(\C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C(C)/C=C/CC1(C)CO1
• InChI: InChI=1S/C22H40O2Si/c1-11-18(3)20(24-25(9,10)21(5,6)7)19(4)15-17(2)13-12-14-22(8)16-23-22/h11-13,15,19-20H,14,16H2,1-10H3/b13-12+,17-15+,18-11+/t19-,20+,22?/m1/s1
• InChIKey: GVEXBAKWUWXMDM-XVAJKCJYSA-N
• XLogP: 6.66
• TPSA: 21.76 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	364.65
LogP ≤ 5	6.66
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2E,4R,5R,6E,8E)-3,5,7-trimethyl-10-(2-methyloxiran-2-yl)deca-2,6,8-trien-4-yl]oxysilane?

The IUPAC name of tert-butyl-dimethyl-[(2E,4R,5R,6E,8E)-3,5,7-trimethyl-10-(2-methyloxiran-2-yl)deca-2,6,8-trien-4-yl]oxysilane (CID 102384622) is tert-butyl-dimethyl-[(2E,4R,5R,6E,8E)-3,5,7-trimethyl-10-(2-methyloxiran-2-yl)deca-2,6,8-trien-4-yl]oxysilane.

What is the SMILES notation for tert-butyl-dimethyl-[(2E,4R,5R,6E,8E)-3,5,7-trimethyl-10-(2-methyloxiran-2-yl)deca-2,6,8-trien-4-yl]oxysilane?

The canonical SMILES for tert-butyl-dimethyl-[(2E,4R,5R,6E,8E)-3,5,7-trimethyl-10-(2-methyloxiran-2-yl)deca-2,6,8-trien-4-yl]oxysilane is C/C=C(\C)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)/C=C(C)/C=C/CC1(C)CO1.

What is the InChIKey of tert-butyl-dimethyl-[(2E,4R,5R,6E,8E)-3,5,7-trimethyl-10-(2-methyloxiran-2-yl)deca-2,6,8-trien-4-yl]oxysilane?

The InChIKey is GVEXBAKWUWXMDM-XVAJKCJYSA-N. The full InChI is InChI=1S/C22H40O2Si/c1-11-18(3)20(24-25(9,10)21(5,6)7)19(4)15-17(2)13-12-14-22(8)16-23-22/h11-13,15,19-20H,14,16H2,1-10H3/b13-12+,17-15+,18-11+/t19-,20+,22?/m1/s1.

What are the key properties of tert-butyl-dimethyl-[(2E,4R,5R,6E,8E)-3,5,7-trimethyl-10-(2-methyloxiran-2-yl)deca-2,6,8-trien-4-yl]oxysilane?

tert-butyl-dimethyl-[(2E,4R,5R,6E,8E)-3,5,7-trimethyl-10-(2-methyloxiran-2-yl)deca-2,6,8-trien-4-yl]oxysilane has a molecular weight of 364.65 g/mol, XLogP of 6.66, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-dimethyl-[(2E,4R,5R,6E,8E)-3,5,7-trimethyl-10-(2-methyloxiran-2-yl)deca-2,6,8-trien-4-yl]oxysilane is sourced from PubChem (CID 102384622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).