trimethyl-[(1E,3Z)-2-methyl-1-[(1R)-1-[4-(trifluoromethyl)phenyl]ethoxy]penta-1,3-dien-3-yl]oxysilane

C18H25F3O2Si — CID 44551514

IUPACtrimethyl-[(1E,3Z)-2-methyl-1-[(1R)-1-[4-(trifluoromethyl)phenyl]ethoxy]penta-1,3-dien-3-yl]oxysilane
SMILESC/C=C(O[Si](C)(C)C)/C(C)=C/O[C@H](C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H25F3O2Si/c1-7-17(23-24(4,5)6)13(2)12-22-14(3)15-8-10-16(11-9-15)18(19,20)21/h7-12,14H,1-6H3/b13-12+,17-7-/t14-/m1/s1
InChIKeyRXXZHXMYKKCJFU-FVDZIFNRSA-N
MW358.48 g/mol
LogP6.44
Rot. Bonds6

About trimethyl-[(1E,3Z)-2-methyl-1-[(1R)-1-[4-(trifluoromethyl)phenyl]ethoxy]penta-1,3-dien-3-yl]oxysilane

trimethyl-[(1E,3Z)-2-methyl-1-[(1R)-1-[4-(trifluoromethyl)phenyl]ethoxy]penta-1,3-dien-3-yl]oxysilane (PubChem CID 44551514) has the molecular formula C18H25F3O2Si and a molecular weight of 358.48 g/mol. Its IUPAC name is trimethyl-[(1E,3Z)-2-methyl-1-[(1R)-1-[4-(trifluoromethyl)phenyl]ethoxy]penta-1,3-dien-3-yl]oxysilane.

Molecular Properties

Compound Nametrimethyl-[(1E,3Z)-2-methyl-1-[(1R)-1-[4-(trifluoromethyl)phenyl]ethoxy]penta-1,3-dien-3-yl]oxysilane
PubChem CID44551514
Molecular FormulaC18H25F3O2Si
Molecular Weight358.48 g/mol
Exact Mass358.16
IUPAC Nametrimethyl-[(1E,3Z)-2-methyl-1-[(1R)-1-[4-(trifluoromethyl)phenyl]ethoxy]penta-1,3-dien-3-yl]oxysilane
SMILESC/C=C(O[Si](C)(C)C)/C(C)=C/O[C@H](C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H25F3O2Si/c1-7-17(23-24(4,5)6)13(2)12-22-14(3)15-8-10-16(11-9-15)18(19,20)21/h7-12,14H,1-6H3/b13-12+,17-7-/t14-/m1/s1
InChIKeyRXXZHXMYKKCJFU-FVDZIFNRSA-N
XLogP6.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.48
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[(1E,3Z)-2-methyl-1-[(1R)-1-[4-(trifluoromethyl)phenyl]ethoxy]penta-1,3-dien-3-yl]oxysilane?
The IUPAC name of trimethyl-[(1E,3Z)-2-methyl-1-[(1R)-1-[4-(trifluoromethyl)phenyl]ethoxy]penta-1,3-dien-3-yl]oxysilane (CID 44551514) is trimethyl-[(1E,3Z)-2-methyl-1-[(1R)-1-[4-(trifluoromethyl)phenyl]ethoxy]penta-1,3-dien-3-yl]oxysilane.
What is the SMILES notation for trimethyl-[(1E,3Z)-2-methyl-1-[(1R)-1-[4-(trifluoromethyl)phenyl]ethoxy]penta-1,3-dien-3-yl]oxysilane?
The canonical SMILES for trimethyl-[(1E,3Z)-2-methyl-1-[(1R)-1-[4-(trifluoromethyl)phenyl]ethoxy]penta-1,3-dien-3-yl]oxysilane is C/C=C(O[Si](C)(C)C)/C(C)=C/O[C@H](C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of trimethyl-[(1E,3Z)-2-methyl-1-[(1R)-1-[4-(trifluoromethyl)phenyl]ethoxy]penta-1,3-dien-3-yl]oxysilane?
The InChIKey is RXXZHXMYKKCJFU-FVDZIFNRSA-N. The full InChI is InChI=1S/C18H25F3O2Si/c1-7-17(23-24(4,5)6)13(2)12-22-14(3)15-8-10-16(11-9-15)18(19,20)21/h7-12,14H,1-6H3/b13-12+,17-7-/t14-/m1/s1.
What are the key properties of trimethyl-[(1E,3Z)-2-methyl-1-[(1R)-1-[4-(trifluoromethyl)phenyl]ethoxy]penta-1,3-dien-3-yl]oxysilane?
trimethyl-[(1E,3Z)-2-methyl-1-[(1R)-1-[4-(trifluoromethyl)phenyl]ethoxy]penta-1,3-dien-3-yl]oxysilane has a molecular weight of 358.48 g/mol, XLogP of 6.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(1E,3Z)-2-methyl-1-[(1R)-1-[4-(trifluoromethyl)phenyl]ethoxy]penta-1,3-dien-3-yl]oxysilane is sourced from PubChem (CID 44551514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).