[(4-pentylphenyl)-(5-trimethylsilylfuran-3-yl)methyl] acetate

C21H30O3Si — CID 15723385

IUPAC[(4-pentylphenyl)-(5-trimethylsilylfuran-3-yl)methyl] acetate
SMILESCCCCCc1ccc(C(OC(C)=O)c2coc([Si](C)(C)C)c2)cc1
InChIInChI=1S/C21H30O3Si/c1-6-7-8-9-17-10-12-18(13-11-17)21(24-16(2)22)19-14-20(23-15-19)25(3,4)5/h10-15,21H,6-9H2,1-5H3
InChIKeyLBAXTWZQBOXQKP-UHFFFAOYSA-N
MW358.55 g/mol
LogP5.21
Rot. Bonds8

About [(4-pentylphenyl)-(5-trimethylsilylfuran-3-yl)methyl] acetate

[(4-pentylphenyl)-(5-trimethylsilylfuran-3-yl)methyl] acetate (PubChem CID 15723385) has the molecular formula C21H30O3Si and a molecular weight of 358.55 g/mol. Its IUPAC name is [(4-pentylphenyl)-(5-trimethylsilylfuran-3-yl)methyl] acetate.

Molecular Properties

Compound Name[(4-pentylphenyl)-(5-trimethylsilylfuran-3-yl)methyl] acetate
PubChem CID15723385
Molecular FormulaC21H30O3Si
Molecular Weight358.55 g/mol
Exact Mass358.20
IUPAC Name[(4-pentylphenyl)-(5-trimethylsilylfuran-3-yl)methyl] acetate
SMILESCCCCCc1ccc(C(OC(C)=O)c2coc([Si](C)(C)C)c2)cc1
InChIInChI=1S/C21H30O3Si/c1-6-7-8-9-17-10-12-18(13-11-17)21(24-16(2)22)19-14-20(23-15-19)25(3,4)5/h10-15,21H,6-9H2,1-5H3
InChIKeyLBAXTWZQBOXQKP-UHFFFAOYSA-N
XLogP5.21
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.55
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

[(2-tridec-1-ynylphenyl)-(5-trimethylsilylfuran-3-yl)methyl] acetate
CID 19885946
bis[(4-pentylphenyl)-phenylmethyl] carbonate
CID 67179392
[[4-(aminomethyl)phenyl]-[4-(3-hydroxypropyl)phenyl]methyl] acetate
CID 70522691
1-(5-trimethylsilylfuran-3-yl)hexan-1-ol
CID 70413121
1-(5-trimethylsilylfuran-3-yl)tridecyl dodecanoate
CID 15037068
1-(5-trimethylsilylfuran-3-yl)undecan-1-ol
CID 19885896
bis(4-fluorophenyl)methyl 4-(4-butylphenyl)benzoate
CID 143114592
diethyl 2-(4-hexylphenyl)propanedioate
CID 12924928
1-(5-trimethylsilylfuran-3-yl)tridecyl N-(1-phenylethyl)carbamate
CID 67903001
(4-decylphenyl) acetate
CID 57064765
bis(4-tridecylphenyl)methanol
CID 139673626
1-(4-nonylphenyl)propyl 5-nonylpyrimidine-2-carboxylate
CID 54146952

Frequently Asked Questions

What is the IUPAC name of [(4-pentylphenyl)-(5-trimethylsilylfuran-3-yl)methyl] acetate?
The IUPAC name of [(4-pentylphenyl)-(5-trimethylsilylfuran-3-yl)methyl] acetate (CID 15723385) is [(4-pentylphenyl)-(5-trimethylsilylfuran-3-yl)methyl] acetate.
What is the SMILES notation for [(4-pentylphenyl)-(5-trimethylsilylfuran-3-yl)methyl] acetate?
The canonical SMILES for [(4-pentylphenyl)-(5-trimethylsilylfuran-3-yl)methyl] acetate is CCCCCc1ccc(C(OC(C)=O)c2coc([Si](C)(C)C)c2)cc1.
What is the InChIKey of [(4-pentylphenyl)-(5-trimethylsilylfuran-3-yl)methyl] acetate?
The InChIKey is LBAXTWZQBOXQKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30O3Si/c1-6-7-8-9-17-10-12-18(13-11-17)21(24-16(2)22)19-14-20(23-15-19)25(3,4)5/h10-15,21H,6-9H2,1-5H3.
What are the key properties of [(4-pentylphenyl)-(5-trimethylsilylfuran-3-yl)methyl] acetate?
[(4-pentylphenyl)-(5-trimethylsilylfuran-3-yl)methyl] acetate has a molecular weight of 358.55 g/mol, XLogP of 5.21, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-pentylphenyl)-(5-trimethylsilylfuran-3-yl)methyl] acetate is sourced from PubChem (CID 15723385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).