4-[2-(ethoxymethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane;methoxy(trimethyl)silane

C23H38F6O3Si — CID 91153537

About 4-[2-(ethoxymethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane;methoxy(trimethyl)silane

4-[2-(ethoxymethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane;methoxy(trimethyl)silane (PubChem CID 91153537) has the molecular formula C23H38F6O3Si and a molecular weight of 504.63 g/mol. Its IUPAC name is 4-[2-(ethoxymethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane;methoxy(trimethyl)silane.

Molecular Properties

• Compound Name: 4-[2-(ethoxymethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane;methoxy(trimethyl)silane
• PubChem CID: 91153537
• Molecular Formula: C23H38F6O3Si
• Molecular Weight: 504.63 g/mol
• Exact Mass: 504.25
• IUPAC Name: 4-[2-(ethoxymethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane;methoxy(trimethyl)silane
• SMILES: CCOCOC(CC1CC2CC1C1C3CCC(C3)C21)(C(F)(F)F)C(F)(F)F.CO[Si](C)(C)C
• InChI: InChI=1S/C19H26F6O2.C4H12OSi/c1-2-26-9-27-17(18(20,21)22,19(23,24)25)8-13-6-12-7-14(13)16-11-4-3-10(5-11)15(12)16;1-5-6(2,3)4/h10-16H,2-9H2,1H3;1-4H3
• InChIKey: MPNZJVBTUQLZGB-UHFFFAOYSA-N
• XLogP: 7.04
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.63
LogP ≤ 5	7.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[2-(ethoxymethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane;methoxy(trimethyl)silane?

The IUPAC name of 4-[2-(ethoxymethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane;methoxy(trimethyl)silane (CID 91153537) is 4-[2-(ethoxymethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane;methoxy(trimethyl)silane.

What is the SMILES notation for 4-[2-(ethoxymethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane;methoxy(trimethyl)silane?

The canonical SMILES for 4-[2-(ethoxymethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane;methoxy(trimethyl)silane is CCOCOC(CC1CC2CC1C1C3CCC(C3)C21)(C(F)(F)F)C(F)(F)F.CO[Si](C)(C)C.

What is the InChIKey of 4-[2-(ethoxymethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane;methoxy(trimethyl)silane?

The InChIKey is MPNZJVBTUQLZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F6O2.C4H12OSi/c1-2-26-9-27-17(18(20,21)22,19(23,24)25)8-13-6-12-7-14(13)16-11-4-3-10(5-11)15(12)16;1-5-6(2,3)4/h10-16H,2-9H2,1H3;1-4H3.

What are the key properties of 4-[2-(ethoxymethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane;methoxy(trimethyl)silane?

4-[2-(ethoxymethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane;methoxy(trimethyl)silane has a molecular weight of 504.63 g/mol, XLogP of 7.04, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(ethoxymethoxy)-3,3,3-trifluoro-2-(trifluoromethyl)propyl]tetracyclo[6.2.1.13,6.02,7]dodecane;methoxy(trimethyl)silane is sourced from PubChem (CID 91153537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).