(6R,10R,14R)-2-ethoxy-6,10,14,18-tetramethyl-2-(2,2,2-trifluoroethoxy)nonadecane

C27H53F3O2 — CID 118505273

About (6R,10R,14R)-2-ethoxy-6,10,14,18-tetramethyl-2-(2,2,2-trifluoroethoxy)nonadecane

(6R,10R,14R)-2-ethoxy-6,10,14,18-tetramethyl-2-(2,2,2-trifluoroethoxy)nonadecane (PubChem CID 118505273) has the molecular formula C27H53F3O2 and a molecular weight of 466.71 g/mol. Its IUPAC name is (6R,10R,14R)-2-ethoxy-6,10,14,18-tetramethyl-2-(2,2,2-trifluoroethoxy)nonadecane.

Molecular Properties

• Compound Name: (6R,10R,14R)-2-ethoxy-6,10,14,18-tetramethyl-2-(2,2,2-trifluoroethoxy)nonadecane
• PubChem CID: 118505273
• Molecular Formula: C27H53F3O2
• Molecular Weight: 466.71 g/mol
• Exact Mass: 466.40
• IUPAC Name: (6R,10R,14R)-2-ethoxy-6,10,14,18-tetramethyl-2-(2,2,2-trifluoroethoxy)nonadecane
• SMILES: CCOC(C)(CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)OCC(F)(F)F
• InChI: InChI=1S/C27H53F3O2/c1-8-31-26(7,32-21-27(28,29)30)20-12-19-25(6)18-11-17-24(5)16-10-15-23(4)14-9-13-22(2)3/h22-25H,8-21H2,1-7H3/t23-,24-,25-,26?/m1/s1
• InChIKey: NSCVFHBZRMDNHJ-NITSXXPLSA-N
• XLogP: 9.56
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 20
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.71
LogP ≤ 5	9.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (6R,10R,14R)-2-ethoxy-6,10,14,18-tetramethyl-2-(2,2,2-trifluoroethoxy)nonadecane?

The IUPAC name of (6R,10R,14R)-2-ethoxy-6,10,14,18-tetramethyl-2-(2,2,2-trifluoroethoxy)nonadecane (CID 118505273) is (6R,10R,14R)-2-ethoxy-6,10,14,18-tetramethyl-2-(2,2,2-trifluoroethoxy)nonadecane.

What is the SMILES notation for (6R,10R,14R)-2-ethoxy-6,10,14,18-tetramethyl-2-(2,2,2-trifluoroethoxy)nonadecane?

The canonical SMILES for (6R,10R,14R)-2-ethoxy-6,10,14,18-tetramethyl-2-(2,2,2-trifluoroethoxy)nonadecane is CCOC(C)(CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)OCC(F)(F)F.

What is the InChIKey of (6R,10R,14R)-2-ethoxy-6,10,14,18-tetramethyl-2-(2,2,2-trifluoroethoxy)nonadecane?

The InChIKey is NSCVFHBZRMDNHJ-NITSXXPLSA-N. The full InChI is InChI=1S/C27H53F3O2/c1-8-31-26(7,32-21-27(28,29)30)20-12-19-25(6)18-11-17-24(5)16-10-15-23(4)14-9-13-22(2)3/h22-25H,8-21H2,1-7H3/t23-,24-,25-,26?/m1/s1.

What are the key properties of (6R,10R,14R)-2-ethoxy-6,10,14,18-tetramethyl-2-(2,2,2-trifluoroethoxy)nonadecane?

(6R,10R,14R)-2-ethoxy-6,10,14,18-tetramethyl-2-(2,2,2-trifluoroethoxy)nonadecane has a molecular weight of 466.71 g/mol, XLogP of 9.56, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (6R,10R,14R)-2-ethoxy-6,10,14,18-tetramethyl-2-(2,2,2-trifluoroethoxy)nonadecane is sourced from PubChem (CID 118505273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).