[[4-[acetyloxy(dibutyl)silyl]phenyl]-dibutylsilyl] acetate

C26H46O4Si2 — CID 66773624

IUPAC[[4-[acetyloxy(dibutyl)silyl]phenyl]-dibutylsilyl] acetate
SMILESCCCC[Si](CCCC)(OC(C)=O)c1ccc([Si](CCCC)(CCCC)OC(C)=O)cc1
InChIInChI=1S/C26H46O4Si2/c1-7-11-19-31(20-12-8-2,29-23(5)27)25-15-17-26(18-16-25)32(21-13-9-3,22-14-10-4)30-24(6)28/h15-18H,7-14,19-22H2,1-6H3
InChIKeyLOVWEPXJLUHOFK-UHFFFAOYSA-N
MW478.82 g/mol
LogP6.32
Rot. Bonds16

About [[4-[acetyloxy(dibutyl)silyl]phenyl]-dibutylsilyl] acetate

[[4-[acetyloxy(dibutyl)silyl]phenyl]-dibutylsilyl] acetate (PubChem CID 66773624) has the molecular formula C26H46O4Si2 and a molecular weight of 478.82 g/mol. Its IUPAC name is [[4-[acetyloxy(dibutyl)silyl]phenyl]-dibutylsilyl] acetate.

Molecular Properties

Compound Name[[4-[acetyloxy(dibutyl)silyl]phenyl]-dibutylsilyl] acetate
PubChem CID66773624
Molecular FormulaC26H46O4Si2
Molecular Weight478.82 g/mol
Exact Mass478.29
IUPAC Name[[4-[acetyloxy(dibutyl)silyl]phenyl]-dibutylsilyl] acetate
SMILESCCCC[Si](CCCC)(OC(C)=O)c1ccc([Si](CCCC)(CCCC)OC(C)=O)cc1
InChIInChI=1S/C26H46O4Si2/c1-7-11-19-31(20-12-8-2,29-23(5)27)25-15-17-26(18-16-25)32(21-13-9-3,22-14-10-4)30-24(6)28/h15-18H,7-14,19-22H2,1-6H3
InChIKeyLOVWEPXJLUHOFK-UHFFFAOYSA-N
XLogP6.32
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.82
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [[4-[acetyloxy(dibutyl)silyl]phenyl]-dibutylsilyl] acetate?
The IUPAC name of [[4-[acetyloxy(dibutyl)silyl]phenyl]-dibutylsilyl] acetate (CID 66773624) is [[4-[acetyloxy(dibutyl)silyl]phenyl]-dibutylsilyl] acetate.
What is the SMILES notation for [[4-[acetyloxy(dibutyl)silyl]phenyl]-dibutylsilyl] acetate?
The canonical SMILES for [[4-[acetyloxy(dibutyl)silyl]phenyl]-dibutylsilyl] acetate is CCCC[Si](CCCC)(OC(C)=O)c1ccc([Si](CCCC)(CCCC)OC(C)=O)cc1.
What is the InChIKey of [[4-[acetyloxy(dibutyl)silyl]phenyl]-dibutylsilyl] acetate?
The InChIKey is LOVWEPXJLUHOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46O4Si2/c1-7-11-19-31(20-12-8-2,29-23(5)27)25-15-17-26(18-16-25)32(21-13-9-3,22-14-10-4)30-24(6)28/h15-18H,7-14,19-22H2,1-6H3.
What are the key properties of [[4-[acetyloxy(dibutyl)silyl]phenyl]-dibutylsilyl] acetate?
[[4-[acetyloxy(dibutyl)silyl]phenyl]-dibutylsilyl] acetate has a molecular weight of 478.82 g/mol, XLogP of 6.32, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-[acetyloxy(dibutyl)silyl]phenyl]-dibutylsilyl] acetate is sourced from PubChem (CID 66773624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).