15-[diethoxy(methyl)silyl]pentadecyl 2,2,2-trifluoroacetate

C22H43F3O4Si — CID 19770314

IUPAC15-[diethoxy(methyl)silyl]pentadecyl 2,2,2-trifluoroacetate
SMILESCCO[Si](C)(CCCCCCCCCCCCCCCOC(=O)C(F)(F)F)OCC
InChIInChI=1S/C22H43F3O4Si/c1-4-28-30(3,29-5-2)20-18-16-14-12-10-8-6-7-9-11-13-15-17-19-27-21(26)22(23,24)25/h4-20H2,1-3H3
InChIKeyUYFYWXOYMKZJJY-UHFFFAOYSA-N
MW456.66 g/mol
LogP7.31
Rot. Bonds20

About 15-[diethoxy(methyl)silyl]pentadecyl 2,2,2-trifluoroacetate

15-[diethoxy(methyl)silyl]pentadecyl 2,2,2-trifluoroacetate (PubChem CID 19770314) has the molecular formula C22H43F3O4Si and a molecular weight of 456.66 g/mol. Its IUPAC name is 15-[diethoxy(methyl)silyl]pentadecyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name15-[diethoxy(methyl)silyl]pentadecyl 2,2,2-trifluoroacetate
PubChem CID19770314
Molecular FormulaC22H43F3O4Si
Molecular Weight456.66 g/mol
Exact Mass456.29
IUPAC Name15-[diethoxy(methyl)silyl]pentadecyl 2,2,2-trifluoroacetate
SMILESCCO[Si](C)(CCCCCCCCCCCCCCCOC(=O)C(F)(F)F)OCC
InChIInChI=1S/C22H43F3O4Si/c1-4-28-30(3,29-5-2)20-18-16-14-12-10-8-6-7-9-11-13-15-17-19-27-21(26)22(23,24)25/h4-20H2,1-3H3
InChIKeyUYFYWXOYMKZJJY-UHFFFAOYSA-N
XLogP7.31
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.66
LogP ≤ 57.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 15-[diethoxy(methyl)silyl]pentadecyl 2,2,2-trifluoroacetate?
The IUPAC name of 15-[diethoxy(methyl)silyl]pentadecyl 2,2,2-trifluoroacetate (CID 19770314) is 15-[diethoxy(methyl)silyl]pentadecyl 2,2,2-trifluoroacetate.
What is the SMILES notation for 15-[diethoxy(methyl)silyl]pentadecyl 2,2,2-trifluoroacetate?
The canonical SMILES for 15-[diethoxy(methyl)silyl]pentadecyl 2,2,2-trifluoroacetate is CCO[Si](C)(CCCCCCCCCCCCCCCOC(=O)C(F)(F)F)OCC.
What is the InChIKey of 15-[diethoxy(methyl)silyl]pentadecyl 2,2,2-trifluoroacetate?
The InChIKey is UYFYWXOYMKZJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43F3O4Si/c1-4-28-30(3,29-5-2)20-18-16-14-12-10-8-6-7-9-11-13-15-17-19-27-21(26)22(23,24)25/h4-20H2,1-3H3.
What are the key properties of 15-[diethoxy(methyl)silyl]pentadecyl 2,2,2-trifluoroacetate?
15-[diethoxy(methyl)silyl]pentadecyl 2,2,2-trifluoroacetate has a molecular weight of 456.66 g/mol, XLogP of 7.31, 20 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 15-[diethoxy(methyl)silyl]pentadecyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 19770314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).