[diacetyloxy-[5-(3,5-difluorophenyl)pentyl]silyl] acetate

C17H22F2O6Si — CID 90173628

IUPAC[diacetyloxy-[5-(3,5-difluorophenyl)pentyl]silyl] acetate
SMILESCC(=O)O[Si](CCCCCc1cc(F)cc(F)c1)(OC(C)=O)OC(C)=O
InChIInChI=1S/C17H22F2O6Si/c1-12(20)23-26(24-13(2)21,25-14(3)22)8-6-4-5-7-15-9-16(18)11-17(19)10-15/h9-11H,4-8H2,1-3H3
InChIKeyXQXOVBCRSJPBDX-UHFFFAOYSA-N
MW388.44 g/mol
LogP3.31
Rot. Bonds9

About [diacetyloxy-[5-(3,5-difluorophenyl)pentyl]silyl] acetate

[diacetyloxy-[5-(3,5-difluorophenyl)pentyl]silyl] acetate (PubChem CID 90173628) has the molecular formula C17H22F2O6Si and a molecular weight of 388.44 g/mol. Its IUPAC name is [diacetyloxy-[5-(3,5-difluorophenyl)pentyl]silyl] acetate.

Molecular Properties

Compound Name[diacetyloxy-[5-(3,5-difluorophenyl)pentyl]silyl] acetate
PubChem CID90173628
Molecular FormulaC17H22F2O6Si
Molecular Weight388.44 g/mol
Exact Mass388.12
IUPAC Name[diacetyloxy-[5-(3,5-difluorophenyl)pentyl]silyl] acetate
SMILESCC(=O)O[Si](CCCCCc1cc(F)cc(F)c1)(OC(C)=O)OC(C)=O
InChIInChI=1S/C17H22F2O6Si/c1-12(20)23-26(24-13(2)21,25-14(3)22)8-6-4-5-7-15-9-16(18)11-17(19)10-15/h9-11H,4-8H2,1-3H3
InChIKeyXQXOVBCRSJPBDX-UHFFFAOYSA-N
XLogP3.31
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[diacetyloxy-[4-[3,5-bis(trifluoromethyl)phenyl]butyl]silyl] acetate
CID 90173511
6-(3,5-difluorophenyl)hexyl-trihydroxysilane
CID 90173670
5-(3,5-difluorophenyl)pentyl-dihydroxy-methoxysilane
CID 90175060
[5-(4-fluorophenyl)pentyl-di(propanoyloxy)silyl] propanoate
CID 90170475
[4-(4-fluorophenyl)butyl-di(propanoyloxy)silyl] propanoate
CID 90174752
4-(3,5-difluorophenyl)butyl-hydroxy-di(propan-2-yl)silane
CID 90171446
[diacetyloxy(oct-7-enyl)silyl] acetate
CID 145259170
[di(propanoyloxy)-[3-(2,4,6-trifluorophenyl)propyl]silyl] propanoate
CID 90171359
triethoxy-[5-(3-fluorophenyl)pentyl]silane
CID 90172319
tri(propan-2-yloxy)-[5-(3,4,5-trifluorophenyl)pentyl]silane
CID 90172630
4-(3,5-difluorophenyl)-N,N-dimethylbutan-1-amine
CID 141112133
methyl 2-[2-(3,5-difluorophenyl)ethylamino]-2-oxoacetate
CID 112617153

Frequently Asked Questions

What is the IUPAC name of [diacetyloxy-[5-(3,5-difluorophenyl)pentyl]silyl] acetate?
The IUPAC name of [diacetyloxy-[5-(3,5-difluorophenyl)pentyl]silyl] acetate (CID 90173628) is [diacetyloxy-[5-(3,5-difluorophenyl)pentyl]silyl] acetate.
What is the SMILES notation for [diacetyloxy-[5-(3,5-difluorophenyl)pentyl]silyl] acetate?
The canonical SMILES for [diacetyloxy-[5-(3,5-difluorophenyl)pentyl]silyl] acetate is CC(=O)O[Si](CCCCCc1cc(F)cc(F)c1)(OC(C)=O)OC(C)=O.
What is the InChIKey of [diacetyloxy-[5-(3,5-difluorophenyl)pentyl]silyl] acetate?
The InChIKey is XQXOVBCRSJPBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2O6Si/c1-12(20)23-26(24-13(2)21,25-14(3)22)8-6-4-5-7-15-9-16(18)11-17(19)10-15/h9-11H,4-8H2,1-3H3.
What are the key properties of [diacetyloxy-[5-(3,5-difluorophenyl)pentyl]silyl] acetate?
[diacetyloxy-[5-(3,5-difluorophenyl)pentyl]silyl] acetate has a molecular weight of 388.44 g/mol, XLogP of 3.31, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [diacetyloxy-[5-(3,5-difluorophenyl)pentyl]silyl] acetate is sourced from PubChem (CID 90173628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).