[3-[dimethyl(phenyl)silyl]oxy-5-hydroxypentyl] acetate

C15H24O4Si — CID 91448227

IUPAC[3-[dimethyl(phenyl)silyl]oxy-5-hydroxypentyl] acetate
SMILESCC(=O)OCCC(CCO)O[Si](C)(C)c1ccccc1
InChIInChI=1S/C15H24O4Si/c1-13(17)18-12-10-14(9-11-16)19-20(2,3)15-7-5-4-6-8-15/h4-8,14,16H,9-12H2,1-3H3
InChIKeyGKJZITGYUVXIOF-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.82
Rot. Bonds8

About [3-[dimethyl(phenyl)silyl]oxy-5-hydroxypentyl] acetate

[3-[dimethyl(phenyl)silyl]oxy-5-hydroxypentyl] acetate (PubChem CID 91448227) has the molecular formula C15H24O4Si and a molecular weight of 296.44 g/mol. Its IUPAC name is [3-[dimethyl(phenyl)silyl]oxy-5-hydroxypentyl] acetate.

Molecular Properties

Compound Name[3-[dimethyl(phenyl)silyl]oxy-5-hydroxypentyl] acetate
PubChem CID91448227
Molecular FormulaC15H24O4Si
Molecular Weight296.44 g/mol
Exact Mass296.14
IUPAC Name[3-[dimethyl(phenyl)silyl]oxy-5-hydroxypentyl] acetate
SMILESCC(=O)OCCC(CCO)O[Si](C)(C)c1ccccc1
InChIInChI=1S/C15H24O4Si/c1-13(17)18-12-10-14(9-11-16)19-20(2,3)15-7-5-4-6-8-15/h4-8,14,16H,9-12H2,1-3H3
InChIKeyGKJZITGYUVXIOF-UHFFFAOYSA-N
XLogP1.82
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.82
H-Bond Donors ≤ 51
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 [3-[dimethyl(phenyl)silyl]oxy-5-hydroxypentyl] acetate?
The IUPAC name of [3-[dimethyl(phenyl)silyl]oxy-5-hydroxypentyl] acetate (CID 91448227) is [3-[dimethyl(phenyl)silyl]oxy-5-hydroxypentyl] acetate.
What is the SMILES notation for [3-[dimethyl(phenyl)silyl]oxy-5-hydroxypentyl] acetate?
The canonical SMILES for [3-[dimethyl(phenyl)silyl]oxy-5-hydroxypentyl] acetate is CC(=O)OCCC(CCO)O[Si](C)(C)c1ccccc1.
What is the InChIKey of [3-[dimethyl(phenyl)silyl]oxy-5-hydroxypentyl] acetate?
The InChIKey is GKJZITGYUVXIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4Si/c1-13(17)18-12-10-14(9-11-16)19-20(2,3)15-7-5-4-6-8-15/h4-8,14,16H,9-12H2,1-3H3.
What are the key properties of [3-[dimethyl(phenyl)silyl]oxy-5-hydroxypentyl] acetate?
[3-[dimethyl(phenyl)silyl]oxy-5-hydroxypentyl] acetate has a molecular weight of 296.44 g/mol, XLogP of 1.82, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[dimethyl(phenyl)silyl]oxy-5-hydroxypentyl] acetate is sourced from PubChem (CID 91448227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).