[di(propanoyloxy)-[3-(2,4,6-trifluorophenyl)propyl]silyl] propanoate

C18H23F3O6Si — CID 90171359

IUPAC[di(propanoyloxy)-[3-(2,4,6-trifluorophenyl)propyl]silyl] propanoate
SMILESCCC(=O)O[Si](CCCc1c(F)cc(F)cc1F)(OC(=O)CC)OC(=O)CC
InChIInChI=1S/C18H23F3O6Si/c1-4-16(22)25-28(26-17(23)5-2,27-18(24)6-3)9-7-8-13-14(20)10-12(19)11-15(13)21/h10-11H,4-9H2,1-3H3
InChIKeyVRFOMWQSIFHBKC-UHFFFAOYSA-N
MW420.46 g/mol
LogP3.84
Rot. Bonds10

About [di(propanoyloxy)-[3-(2,4,6-trifluorophenyl)propyl]silyl] propanoate

[di(propanoyloxy)-[3-(2,4,6-trifluorophenyl)propyl]silyl] propanoate (PubChem CID 90171359) has the molecular formula C18H23F3O6Si and a molecular weight of 420.46 g/mol. Its IUPAC name is [di(propanoyloxy)-[3-(2,4,6-trifluorophenyl)propyl]silyl] propanoate.

Molecular Properties

Compound Name[di(propanoyloxy)-[3-(2,4,6-trifluorophenyl)propyl]silyl] propanoate
PubChem CID90171359
Molecular FormulaC18H23F3O6Si
Molecular Weight420.46 g/mol
Exact Mass420.12
IUPAC Name[di(propanoyloxy)-[3-(2,4,6-trifluorophenyl)propyl]silyl] propanoate
SMILESCCC(=O)O[Si](CCCc1c(F)cc(F)cc1F)(OC(=O)CC)OC(=O)CC
InChIInChI=1S/C18H23F3O6Si/c1-4-16(22)25-28(26-17(23)5-2,27-18(24)6-3)9-7-8-13-14(20)10-12(19)11-15(13)21/h10-11H,4-9H2,1-3H3
InChIKeyVRFOMWQSIFHBKC-UHFFFAOYSA-N
XLogP3.84
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.46
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[di(propanoyloxy)-[2-(2,4,6-trifluorophenyl)ethyl]silyl] propanoate
CID 90170208
triethoxy-[3-(2,4,6-trifluorophenyl)propyl]silane
CID 90170863
ethoxy-dimethoxy-[3-(2,4,6-trifluorophenyl)propyl]silane
CID 90174742
[5-(4-fluorophenyl)pentyl-di(propanoyloxy)silyl] propanoate
CID 90170475
[3-(2,3,4,5,6-pentafluorophenoxy)propyl-di(propanoyloxy)silyl] propanoate
CID 90172060
ethoxy-dimethoxy-[4-(2,4,6-trifluorophenyl)butyl]silane
CID 90172834
[3-(N,2,3,4,5-pentafluoroanilino)propyl-di(propanoyloxy)silyl] propanoate
CID 90172480
3-tri(propanoyloxy)silylpropyl 2,3,4,5,6-pentafluorobenzoate
CID 90170959
dihydroxy-methoxy-[6-(2,4,6-trifluorophenyl)hexyl]silane
CID 90170374
1,3,5-trifluoro-2-heptylbenzene
CID 59545279
trihydroxy-[6-(2,4,6-trifluorophenyl)hexyl]silane
CID 90174592
ethyl-dimethoxy-[6-(2,4,6-trifluorophenyl)hexyl]silane
CID 90174756

Frequently Asked Questions

What is the IUPAC name of [di(propanoyloxy)-[3-(2,4,6-trifluorophenyl)propyl]silyl] propanoate?
The IUPAC name of [di(propanoyloxy)-[3-(2,4,6-trifluorophenyl)propyl]silyl] propanoate (CID 90171359) is [di(propanoyloxy)-[3-(2,4,6-trifluorophenyl)propyl]silyl] propanoate.
What is the SMILES notation for [di(propanoyloxy)-[3-(2,4,6-trifluorophenyl)propyl]silyl] propanoate?
The canonical SMILES for [di(propanoyloxy)-[3-(2,4,6-trifluorophenyl)propyl]silyl] propanoate is CCC(=O)O[Si](CCCc1c(F)cc(F)cc1F)(OC(=O)CC)OC(=O)CC.
What is the InChIKey of [di(propanoyloxy)-[3-(2,4,6-trifluorophenyl)propyl]silyl] propanoate?
The InChIKey is VRFOMWQSIFHBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F3O6Si/c1-4-16(22)25-28(26-17(23)5-2,27-18(24)6-3)9-7-8-13-14(20)10-12(19)11-15(13)21/h10-11H,4-9H2,1-3H3.
What are the key properties of [di(propanoyloxy)-[3-(2,4,6-trifluorophenyl)propyl]silyl] propanoate?
[di(propanoyloxy)-[3-(2,4,6-trifluorophenyl)propyl]silyl] propanoate has a molecular weight of 420.46 g/mol, XLogP of 3.84, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [di(propanoyloxy)-[3-(2,4,6-trifluorophenyl)propyl]silyl] propanoate is sourced from PubChem (CID 90171359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).