[4-acetyloxy-6-(1-trimethylsilyloxybutyl)naphthalen-1-yl] acetate

C21H28O5Si — CID 14278001

IUPAC[4-acetyloxy-6-(1-trimethylsilyloxybutyl)naphthalen-1-yl] acetate
SMILESCCCC(O[Si](C)(C)C)c1ccc2c(OC(C)=O)ccc(OC(C)=O)c2c1
InChIInChI=1S/C21H28O5Si/c1-7-8-19(26-27(4,5)6)16-9-10-17-18(13-16)21(25-15(3)23)12-11-20(17)24-14(2)22/h9-13,19H,7-8H2,1-6H3
InChIKeyWLVPEWZZXJSKHL-UHFFFAOYSA-N
MW388.54 g/mol
LogP5.38
Rot. Bonds7

About [4-acetyloxy-6-(1-trimethylsilyloxybutyl)naphthalen-1-yl] acetate

[4-acetyloxy-6-(1-trimethylsilyloxybutyl)naphthalen-1-yl] acetate (PubChem CID 14278001) has the molecular formula C21H28O5Si and a molecular weight of 388.54 g/mol. Its IUPAC name is [4-acetyloxy-6-(1-trimethylsilyloxybutyl)naphthalen-1-yl] acetate.

Molecular Properties

Compound Name[4-acetyloxy-6-(1-trimethylsilyloxybutyl)naphthalen-1-yl] acetate
PubChem CID14278001
Molecular FormulaC21H28O5Si
Molecular Weight388.54 g/mol
Exact Mass388.17
IUPAC Name[4-acetyloxy-6-(1-trimethylsilyloxybutyl)naphthalen-1-yl] acetate
SMILESCCCC(O[Si](C)(C)C)c1ccc2c(OC(C)=O)ccc(OC(C)=O)c2c1
InChIInChI=1S/C21H28O5Si/c1-7-8-19(26-27(4,5)6)16-9-10-17-18(13-16)21(25-15(3)23)12-11-20(17)24-14(2)22/h9-13,19H,7-8H2,1-6H3
InChIKeyWLVPEWZZXJSKHL-UHFFFAOYSA-N
XLogP5.38
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.54
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-acetyloxy-6-(1-trimethylsilyloxybutyl)naphthalen-1-yl] acetate?
The IUPAC name of [4-acetyloxy-6-(1-trimethylsilyloxybutyl)naphthalen-1-yl] acetate (CID 14278001) is [4-acetyloxy-6-(1-trimethylsilyloxybutyl)naphthalen-1-yl] acetate.
What is the SMILES notation for [4-acetyloxy-6-(1-trimethylsilyloxybutyl)naphthalen-1-yl] acetate?
The canonical SMILES for [4-acetyloxy-6-(1-trimethylsilyloxybutyl)naphthalen-1-yl] acetate is CCCC(O[Si](C)(C)C)c1ccc2c(OC(C)=O)ccc(OC(C)=O)c2c1.
What is the InChIKey of [4-acetyloxy-6-(1-trimethylsilyloxybutyl)naphthalen-1-yl] acetate?
The InChIKey is WLVPEWZZXJSKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O5Si/c1-7-8-19(26-27(4,5)6)16-9-10-17-18(13-16)21(25-15(3)23)12-11-20(17)24-14(2)22/h9-13,19H,7-8H2,1-6H3.
What are the key properties of [4-acetyloxy-6-(1-trimethylsilyloxybutyl)naphthalen-1-yl] acetate?
[4-acetyloxy-6-(1-trimethylsilyloxybutyl)naphthalen-1-yl] acetate has a molecular weight of 388.54 g/mol, XLogP of 5.38, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-acetyloxy-6-(1-trimethylsilyloxybutyl)naphthalen-1-yl] acetate is sourced from PubChem (CID 14278001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).