tert-butyl-dimethyl-[(1S,2R)-2-[(E)-5-(oxan-2-yloxy)pent-3-enyl]cyclohexyl]oxysilane

C22H42O3Si — CID 6442587

About tert-butyl-dimethyl-[(1S,2R)-2-[(E)-5-(oxan-2-yloxy)pent-3-enyl]cyclohexyl]oxysilane

tert-butyl-dimethyl-[(1S,2R)-2-[(E)-5-(oxan-2-yloxy)pent-3-enyl]cyclohexyl]oxysilane (PubChem CID 6442587) has the molecular formula C22H42O3Si and a molecular weight of 382.66 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(1S,2R)-2-[(E)-5-(oxan-2-yloxy)pent-3-enyl]cyclohexyl]oxysilane.

Molecular Properties

• Compound Name: tert-butyl-dimethyl-[(1S,2R)-2-[(E)-5-(oxan-2-yloxy)pent-3-enyl]cyclohexyl]oxysilane
• PubChem CID: 6442587
• Molecular Formula: C22H42O3Si
• Molecular Weight: 382.66 g/mol
• Exact Mass: 382.29
• IUPAC Name: tert-butyl-dimethyl-[(1S,2R)-2-[(E)-5-(oxan-2-yloxy)pent-3-enyl]cyclohexyl]oxysilane
• SMILES: CC(C)(C)[Si](C)(C)O[C@H]1CCCC[C@@H]1CC/C=C/COC1CCCCO1
• InChI: InChI=1S/C22H42O3Si/c1-22(2,3)26(4,5)25-20-15-9-8-14-19(20)13-7-6-11-17-23-21-16-10-12-18-24-21/h6,11,19-21H,7-10,12-18H2,1-5H3/b11-6+/t19-,20-,21?/m0/s1
• InChIKey: DHYICUVIFIWYSB-QLBBVHJXSA-N
• XLogP: 6.45
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	382.66
LogP ≤ 5	6.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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 tert-butyl-dimethyl-[(1S,2R)-2-[(E)-5-(oxan-2-yloxy)pent-3-enyl]cyclohexyl]oxysilane?

The IUPAC name of tert-butyl-dimethyl-[(1S,2R)-2-[(E)-5-(oxan-2-yloxy)pent-3-enyl]cyclohexyl]oxysilane (CID 6442587) is tert-butyl-dimethyl-[(1S,2R)-2-[(E)-5-(oxan-2-yloxy)pent-3-enyl]cyclohexyl]oxysilane.

What is the SMILES notation for tert-butyl-dimethyl-[(1S,2R)-2-[(E)-5-(oxan-2-yloxy)pent-3-enyl]cyclohexyl]oxysilane?

The canonical SMILES for tert-butyl-dimethyl-[(1S,2R)-2-[(E)-5-(oxan-2-yloxy)pent-3-enyl]cyclohexyl]oxysilane is CC(C)(C)[Si](C)(C)O[C@H]1CCCC[C@@H]1CC/C=C/COC1CCCCO1.

What is the InChIKey of tert-butyl-dimethyl-[(1S,2R)-2-[(E)-5-(oxan-2-yloxy)pent-3-enyl]cyclohexyl]oxysilane?

The InChIKey is DHYICUVIFIWYSB-QLBBVHJXSA-N. The full InChI is InChI=1S/C22H42O3Si/c1-22(2,3)26(4,5)25-20-15-9-8-14-19(20)13-7-6-11-17-23-21-16-10-12-18-24-21/h6,11,19-21H,7-10,12-18H2,1-5H3/b11-6+/t19-,20-,21?/m0/s1.

What are the key properties of tert-butyl-dimethyl-[(1S,2R)-2-[(E)-5-(oxan-2-yloxy)pent-3-enyl]cyclohexyl]oxysilane?

tert-butyl-dimethyl-[(1S,2R)-2-[(E)-5-(oxan-2-yloxy)pent-3-enyl]cyclohexyl]oxysilane has a molecular weight of 382.66 g/mol, XLogP of 6.45, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-dimethyl-[(1S,2R)-2-[(E)-5-(oxan-2-yloxy)pent-3-enyl]cyclohexyl]oxysilane is sourced from PubChem (CID 6442587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).