[5-acetyloxy-3-[dimethyl(phenyl)silyl]oxypentyl] acetate

C17H26O5Si — CID 90840897

IUPAC[5-acetyloxy-3-[dimethyl(phenyl)silyl]oxypentyl] acetate
SMILESCC(=O)OCCC(CCOC(C)=O)O[Si](C)(C)c1ccccc1
InChIInChI=1S/C17H26O5Si/c1-14(18)20-12-10-16(11-13-21-15(2)19)22-23(3,4)17-8-6-5-7-9-17/h5-9,16H,10-13H2,1-4H3
InChIKeyYQCYFZZFFDEQFB-UHFFFAOYSA-N
MW338.48 g/mol
LogP2.39
Rot. Bonds9

About [5-acetyloxy-3-[dimethyl(phenyl)silyl]oxypentyl] acetate

[5-acetyloxy-3-[dimethyl(phenyl)silyl]oxypentyl] acetate (PubChem CID 90840897) has the molecular formula C17H26O5Si and a molecular weight of 338.48 g/mol. Its IUPAC name is [5-acetyloxy-3-[dimethyl(phenyl)silyl]oxypentyl] acetate.

Molecular Properties

Compound Name[5-acetyloxy-3-[dimethyl(phenyl)silyl]oxypentyl] acetate
PubChem CID90840897
Molecular FormulaC17H26O5Si
Molecular Weight338.48 g/mol
Exact Mass338.15
IUPAC Name[5-acetyloxy-3-[dimethyl(phenyl)silyl]oxypentyl] acetate
SMILESCC(=O)OCCC(CCOC(C)=O)O[Si](C)(C)c1ccccc1
InChIInChI=1S/C17H26O5Si/c1-14(18)20-12-10-16(11-13-21-15(2)19)22-23(3,4)17-8-6-5-7-9-17/h5-9,16H,10-13H2,1-4H3
InChIKeyYQCYFZZFFDEQFB-UHFFFAOYSA-N
XLogP2.39
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.48
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 [5-acetyloxy-3-[dimethyl(phenyl)silyl]oxypentyl] acetate?
The IUPAC name of [5-acetyloxy-3-[dimethyl(phenyl)silyl]oxypentyl] acetate (CID 90840897) is [5-acetyloxy-3-[dimethyl(phenyl)silyl]oxypentyl] acetate.
What is the SMILES notation for [5-acetyloxy-3-[dimethyl(phenyl)silyl]oxypentyl] acetate?
The canonical SMILES for [5-acetyloxy-3-[dimethyl(phenyl)silyl]oxypentyl] acetate is CC(=O)OCCC(CCOC(C)=O)O[Si](C)(C)c1ccccc1.
What is the InChIKey of [5-acetyloxy-3-[dimethyl(phenyl)silyl]oxypentyl] acetate?
The InChIKey is YQCYFZZFFDEQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O5Si/c1-14(18)20-12-10-16(11-13-21-15(2)19)22-23(3,4)17-8-6-5-7-9-17/h5-9,16H,10-13H2,1-4H3.
What are the key properties of [5-acetyloxy-3-[dimethyl(phenyl)silyl]oxypentyl] acetate?
[5-acetyloxy-3-[dimethyl(phenyl)silyl]oxypentyl] acetate has a molecular weight of 338.48 g/mol, XLogP of 2.39, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-acetyloxy-3-[dimethyl(phenyl)silyl]oxypentyl] acetate is sourced from PubChem (CID 90840897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).