[4-(4-fluorophenyl)butyl-di(propanoyloxy)silyl] propanoate

C19H27FO6Si — CID 90174752

IUPAC[4-(4-fluorophenyl)butyl-di(propanoyloxy)silyl] propanoate
SMILESCCC(=O)O[Si](CCCCc1ccc(F)cc1)(OC(=O)CC)OC(=O)CC
InChIInChI=1S/C19H27FO6Si/c1-4-17(21)24-27(25-18(22)5-2,26-19(23)6-3)14-8-7-9-15-10-12-16(20)13-11-15/h10-13H,4-9,14H2,1-3H3
InChIKeyOQUPWISZSYPHHI-UHFFFAOYSA-N
MW398.50 g/mol
LogP3.95
Rot. Bonds11

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

[4-(4-fluorophenyl)butyl-di(propanoyloxy)silyl] propanoate (PubChem CID 90174752) has the molecular formula C19H27FO6Si and a molecular weight of 398.50 g/mol. Its IUPAC name is [4-(4-fluorophenyl)butyl-di(propanoyloxy)silyl] propanoate.

Molecular Properties

Compound Name[4-(4-fluorophenyl)butyl-di(propanoyloxy)silyl] propanoate
PubChem CID90174752
Molecular FormulaC19H27FO6Si
Molecular Weight398.50 g/mol
Exact Mass398.16
IUPAC Name[4-(4-fluorophenyl)butyl-di(propanoyloxy)silyl] propanoate
SMILESCCC(=O)O[Si](CCCCc1ccc(F)cc1)(OC(=O)CC)OC(=O)CC
InChIInChI=1S/C19H27FO6Si/c1-4-17(21)24-27(25-18(22)5-2,26-19(23)6-3)14-8-7-9-15-10-12-16(20)13-11-15/h10-13H,4-9,14H2,1-3H3
InChIKeyOQUPWISZSYPHHI-UHFFFAOYSA-N
XLogP3.95
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.95
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

[5-(4-fluorophenyl)pentyl-di(propanoyloxy)silyl] propanoate
CID 90170475
diethoxy-[4-(4-fluorophenyl)butyl]-methylsilane
CID 90171092
5-(4-fluorophenyl)pentaneperoxoic acid
CID 87783739
[diacetyloxy-[5-(3,5-difluorophenyl)pentyl]silyl] acetate
CID 90173628
N-[3-(4-fluorophenyl)propyl]acetamide
CID 58997658
6-(4-fluorophenyl)hexyl-methoxy-di(propan-2-yloxy)silane
CID 90174604
5-(4-fluorophenyl)pentyl-hydroxy-di(propan-2-yl)silane
CID 90171924
(4-fluorophenyl) (4-hexylphenyl) carbonate
CID 70425086
6-(4-fluorophenyl)hexanoic acid
CID 14739735
11-(4-fluorophenyl)undecanamide
CID 144640590
[4-(4-fluorobenzoyl)oxyphenyl] 4-pentylbenzoate
CID 71322059
2-(4-fluorophenyl)-N-[4-(4-fluorophenyl)butyl]acetamide
CID 110288734

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)butyl-di(propanoyloxy)silyl] propanoate?
The IUPAC name of [4-(4-fluorophenyl)butyl-di(propanoyloxy)silyl] propanoate (CID 90174752) is [4-(4-fluorophenyl)butyl-di(propanoyloxy)silyl] propanoate.
What is the SMILES notation for [4-(4-fluorophenyl)butyl-di(propanoyloxy)silyl] propanoate?
The canonical SMILES for [4-(4-fluorophenyl)butyl-di(propanoyloxy)silyl] propanoate is CCC(=O)O[Si](CCCCc1ccc(F)cc1)(OC(=O)CC)OC(=O)CC.
What is the InChIKey of [4-(4-fluorophenyl)butyl-di(propanoyloxy)silyl] propanoate?
The InChIKey is OQUPWISZSYPHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FO6Si/c1-4-17(21)24-27(25-18(22)5-2,26-19(23)6-3)14-8-7-9-15-10-12-16(20)13-11-15/h10-13H,4-9,14H2,1-3H3.
What are the key properties of [4-(4-fluorophenyl)butyl-di(propanoyloxy)silyl] propanoate?
[4-(4-fluorophenyl)butyl-di(propanoyloxy)silyl] propanoate has a molecular weight of 398.50 g/mol, XLogP of 3.95, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)butyl-di(propanoyloxy)silyl] propanoate is sourced from PubChem (CID 90174752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).