[5-(4-fluorophenyl)pentyl-di(propanoyloxy)silyl] propanoate

C20H29FO6Si — CID 90170475

IUPAC[5-(4-fluorophenyl)pentyl-di(propanoyloxy)silyl] propanoate
SMILESCCC(=O)O[Si](CCCCCc1ccc(F)cc1)(OC(=O)CC)OC(=O)CC
InChIInChI=1S/C20H29FO6Si/c1-4-18(22)25-28(26-19(23)5-2,27-20(24)6-3)15-9-7-8-10-16-11-13-17(21)14-12-16/h11-14H,4-10,15H2,1-3H3
InChIKeyVURRVGNBFQKCAT-UHFFFAOYSA-N
MW412.53 g/mol
LogP4.34
Rot. Bonds12

About [5-(4-fluorophenyl)pentyl-di(propanoyloxy)silyl] propanoate

[5-(4-fluorophenyl)pentyl-di(propanoyloxy)silyl] propanoate (PubChem CID 90170475) has the molecular formula C20H29FO6Si and a molecular weight of 412.53 g/mol. Its IUPAC name is [5-(4-fluorophenyl)pentyl-di(propanoyloxy)silyl] propanoate.

Molecular Properties

Compound Name[5-(4-fluorophenyl)pentyl-di(propanoyloxy)silyl] propanoate
PubChem CID90170475
Molecular FormulaC20H29FO6Si
Molecular Weight412.53 g/mol
Exact Mass412.17
IUPAC Name[5-(4-fluorophenyl)pentyl-di(propanoyloxy)silyl] propanoate
SMILESCCC(=O)O[Si](CCCCCc1ccc(F)cc1)(OC(=O)CC)OC(=O)CC
InChIInChI=1S/C20H29FO6Si/c1-4-18(22)25-28(26-19(23)5-2,27-20(24)6-3)15-9-7-8-10-16-11-13-17(21)14-12-16/h11-14H,4-10,15H2,1-3H3
InChIKeyVURRVGNBFQKCAT-UHFFFAOYSA-N
XLogP4.34
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 54.34
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

[4-(4-fluorophenyl)butyl-di(propanoyloxy)silyl] propanoate
CID 90174752
[diacetyloxy-[5-(3,5-difluorophenyl)pentyl]silyl] acetate
CID 90173628
6-(4-fluorophenyl)hexyl-methoxy-di(propan-2-yloxy)silane
CID 90174604
diethoxy-[4-(4-fluorophenyl)butyl]-methylsilane
CID 90171092
5-(4-fluorophenyl)pentaneperoxoic acid
CID 87783739
5-(4-fluorophenyl)pentyl-hydroxy-di(propan-2-yl)silane
CID 90171924
(4-fluorophenyl) (4-hexylphenyl) carbonate
CID 70425086
N-[3-(4-fluorophenyl)propyl]acetamide
CID 58997658
6-(4-fluorophenyl)hexanoic acid
CID 14739735
11-(4-fluorophenyl)undecanamide
CID 144640590
6-(4-fluorophenyl)hexan-1-amine
CID 18470415
[4-[7-(dimethylamino)heptyl]phenyl]-(4-fluorophenyl)methanone
CID 19883676

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)pentyl-di(propanoyloxy)silyl] propanoate?
The IUPAC name of [5-(4-fluorophenyl)pentyl-di(propanoyloxy)silyl] propanoate (CID 90170475) is [5-(4-fluorophenyl)pentyl-di(propanoyloxy)silyl] propanoate.
What is the SMILES notation for [5-(4-fluorophenyl)pentyl-di(propanoyloxy)silyl] propanoate?
The canonical SMILES for [5-(4-fluorophenyl)pentyl-di(propanoyloxy)silyl] propanoate is CCC(=O)O[Si](CCCCCc1ccc(F)cc1)(OC(=O)CC)OC(=O)CC.
What is the InChIKey of [5-(4-fluorophenyl)pentyl-di(propanoyloxy)silyl] propanoate?
The InChIKey is VURRVGNBFQKCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29FO6Si/c1-4-18(22)25-28(26-19(23)5-2,27-20(24)6-3)15-9-7-8-10-16-11-13-17(21)14-12-16/h11-14H,4-10,15H2,1-3H3.
What are the key properties of [5-(4-fluorophenyl)pentyl-di(propanoyloxy)silyl] propanoate?
[5-(4-fluorophenyl)pentyl-di(propanoyloxy)silyl] propanoate has a molecular weight of 412.53 g/mol, XLogP of 4.34, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)pentyl-di(propanoyloxy)silyl] propanoate is sourced from PubChem (CID 90170475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).