[3-[acetyloxy(dibutyl)silyl]propyl-dibutylsilyl] acetate

C23H48O4Si2 — CID 87144314

IUPAC[3-[acetyloxy(dibutyl)silyl]propyl-dibutylsilyl] acetate
SMILESCCCC[Si](CCCC)(CCC[Si](CCCC)(CCCC)OC(C)=O)OC(C)=O
InChIInChI=1S/C23H48O4Si2/c1-7-11-16-28(17-12-8-2,26-22(5)24)20-15-21-29(18-13-9-3,19-14-10-4)27-23(6)25/h7-21H2,1-6H3
InChIKeyPJWRHPGUVZCKGA-UHFFFAOYSA-N
MW444.81 g/mol
LogP7.59
Rot. Bonds18

About [3-[acetyloxy(dibutyl)silyl]propyl-dibutylsilyl] acetate

[3-[acetyloxy(dibutyl)silyl]propyl-dibutylsilyl] acetate (PubChem CID 87144314) has the molecular formula C23H48O4Si2 and a molecular weight of 444.81 g/mol. Its IUPAC name is [3-[acetyloxy(dibutyl)silyl]propyl-dibutylsilyl] acetate.

Molecular Properties

Compound Name[3-[acetyloxy(dibutyl)silyl]propyl-dibutylsilyl] acetate
PubChem CID87144314
Molecular FormulaC23H48O4Si2
Molecular Weight444.81 g/mol
Exact Mass444.31
IUPAC Name[3-[acetyloxy(dibutyl)silyl]propyl-dibutylsilyl] acetate
SMILESCCCC[Si](CCCC)(CCC[Si](CCCC)(CCCC)OC(C)=O)OC(C)=O
InChIInChI=1S/C23H48O4Si2/c1-7-11-16-28(17-12-8-2,26-22(5)24)20-15-21-29(18-13-9-3,19-14-10-4)27-23(6)25/h7-21H2,1-6H3
InChIKeyPJWRHPGUVZCKGA-UHFFFAOYSA-N
XLogP7.59
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.81
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tridodecylsilyl acetate
CID 22926548
[butyl(dimethyl)silyl] acetate
CID 22926546
tributylsilyl butanoate
CID 615215
[butyl-di(propan-2-yl)silyl] acetate
CID 87113830
(E)-3-methyl-4-oxo-4-tributylsilyloxybut-2-enoic acid
CID 19079956
[diacetyloxy(butyl)silyl] acetate;prop-2-enamide
CID 158770518
[[4-[acetyloxy(dibutyl)silyl]phenyl]-dibutylsilyl] acetate
CID 66773624
tributylsilyl N-trimethylsilylethanimidate
CID 175690084
[dibutyl(2-methylprop-2-enoyloxy)silyl] 2-methylprop-2-enoate
CID 153439669
1-O-[dibutyl(octyl)silyl] 4-O-methyl 2-methylidenebutanedioate
CID 19063311
tributylsilyl hydrogen sulfate
CID 18317151
dibutyl-[3-[dibutyl(propoxy)silyl]propyl]-propoxysilane
CID 87145187

Frequently Asked Questions

What is the IUPAC name of [3-[acetyloxy(dibutyl)silyl]propyl-dibutylsilyl] acetate?
The IUPAC name of [3-[acetyloxy(dibutyl)silyl]propyl-dibutylsilyl] acetate (CID 87144314) is [3-[acetyloxy(dibutyl)silyl]propyl-dibutylsilyl] acetate.
What is the SMILES notation for [3-[acetyloxy(dibutyl)silyl]propyl-dibutylsilyl] acetate?
The canonical SMILES for [3-[acetyloxy(dibutyl)silyl]propyl-dibutylsilyl] acetate is CCCC[Si](CCCC)(CCC[Si](CCCC)(CCCC)OC(C)=O)OC(C)=O.
What is the InChIKey of [3-[acetyloxy(dibutyl)silyl]propyl-dibutylsilyl] acetate?
The InChIKey is PJWRHPGUVZCKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H48O4Si2/c1-7-11-16-28(17-12-8-2,26-22(5)24)20-15-21-29(18-13-9-3,19-14-10-4)27-23(6)25/h7-21H2,1-6H3.
What are the key properties of [3-[acetyloxy(dibutyl)silyl]propyl-dibutylsilyl] acetate?
[3-[acetyloxy(dibutyl)silyl]propyl-dibutylsilyl] acetate has a molecular weight of 444.81 g/mol, XLogP of 7.59, 18 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[acetyloxy(dibutyl)silyl]propyl-dibutylsilyl] acetate is sourced from PubChem (CID 87144314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).