[(2,3,4,5,6-pentafluorophenyl)-di(propanoyloxy)silyl] propanoate

C15H15F5O6Si — CID 90170666

IUPAC[(2,3,4,5,6-pentafluorophenyl)-di(propanoyloxy)silyl] propanoate
SMILESCCC(=O)O[Si](OC(=O)CC)(OC(=O)CC)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C15H15F5O6Si/c1-4-7(21)24-27(25-8(22)5-2,26-9(23)6-3)15-13(19)11(17)10(16)12(18)14(15)20/h4-6H2,1-3H3
InChIKeyPQGMKPAHVXLMHD-UHFFFAOYSA-N
MW414.36 g/mol
LogP2.39
Rot. Bonds7

About [(2,3,4,5,6-pentafluorophenyl)-di(propanoyloxy)silyl] propanoate

[(2,3,4,5,6-pentafluorophenyl)-di(propanoyloxy)silyl] propanoate (PubChem CID 90170666) has the molecular formula C15H15F5O6Si and a molecular weight of 414.36 g/mol. Its IUPAC name is [(2,3,4,5,6-pentafluorophenyl)-di(propanoyloxy)silyl] propanoate.

Molecular Properties

Compound Name[(2,3,4,5,6-pentafluorophenyl)-di(propanoyloxy)silyl] propanoate
PubChem CID90170666
Molecular FormulaC15H15F5O6Si
Molecular Weight414.36 g/mol
Exact Mass414.06
IUPAC Name[(2,3,4,5,6-pentafluorophenyl)-di(propanoyloxy)silyl] propanoate
SMILESCCC(=O)O[Si](OC(=O)CC)(OC(=O)CC)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C15H15F5O6Si/c1-4-7(21)24-27(25-8(22)5-2,26-9(23)6-3)15-13(19)11(17)10(16)12(18)14(15)20/h4-6H2,1-3H3
InChIKeyPQGMKPAHVXLMHD-UHFFFAOYSA-N
XLogP2.39
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.36
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[3-(2,3,4,5,6-pentafluorophenoxy)propyl-di(propanoyloxy)silyl] propanoate
CID 90172060
3-tri(propanoyloxy)silylpropyl 2,3,4,5,6-pentafluorobenzoate
CID 90170959
[dibromo(propanoyloxy)silyl] propanoate
CID 139686973
[3-(N,2,3,4,5-pentafluoroanilino)propyl-di(propanoyloxy)silyl] propanoate
CID 90172480
[dimethoxy(methyl)silyl] propanoate
CID 87595419
trimethoxysilyl propanoate
CID 87655017
triacetyloxysilyl propanoate
CID 139651068
tripropylsilyl propanoate
CID 604402
propanoyl (113C)propanoate
CID 91179573
propanoyloxy-λ2-stannane
CID 173456890
CID 159416386
CID 159416386
[di(propanoyloxy)-[2-(2,4,6-trifluorophenyl)ethyl]silyl] propanoate
CID 90170208

Frequently Asked Questions

What is the IUPAC name of [(2,3,4,5,6-pentafluorophenyl)-di(propanoyloxy)silyl] propanoate?
The IUPAC name of [(2,3,4,5,6-pentafluorophenyl)-di(propanoyloxy)silyl] propanoate (CID 90170666) is [(2,3,4,5,6-pentafluorophenyl)-di(propanoyloxy)silyl] propanoate.
What is the SMILES notation for [(2,3,4,5,6-pentafluorophenyl)-di(propanoyloxy)silyl] propanoate?
The canonical SMILES for [(2,3,4,5,6-pentafluorophenyl)-di(propanoyloxy)silyl] propanoate is CCC(=O)O[Si](OC(=O)CC)(OC(=O)CC)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of [(2,3,4,5,6-pentafluorophenyl)-di(propanoyloxy)silyl] propanoate?
The InChIKey is PQGMKPAHVXLMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F5O6Si/c1-4-7(21)24-27(25-8(22)5-2,26-9(23)6-3)15-13(19)11(17)10(16)12(18)14(15)20/h4-6H2,1-3H3.
What are the key properties of [(2,3,4,5,6-pentafluorophenyl)-di(propanoyloxy)silyl] propanoate?
[(2,3,4,5,6-pentafluorophenyl)-di(propanoyloxy)silyl] propanoate has a molecular weight of 414.36 g/mol, XLogP of 2.39, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,3,4,5,6-pentafluorophenyl)-di(propanoyloxy)silyl] propanoate is sourced from PubChem (CID 90170666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).