[9-[3-[tert-butyl(dimethyl)silyl]oxypropyl]purin-8-yl]methyl acetate

C17H28N4O3Si — CID 152635465

IUPAC[9-[3-[tert-butyl(dimethyl)silyl]oxypropyl]purin-8-yl]methyl acetate
SMILESCC(=O)OCc1nc2cncnc2n1CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H28N4O3Si/c1-13(22)23-11-15-20-14-10-18-12-19-16(14)21(15)8-7-9-24-25(5,6)17(2,3)4/h10,12H,7-9,11H2,1-6H3
InChIKeyZELCVJPXGYUGMK-UHFFFAOYSA-N
MW364.52 g/mol
LogP3.30
Rot. Bonds7

About [9-[3-[tert-butyl(dimethyl)silyl]oxypropyl]purin-8-yl]methyl acetate

[9-[3-[tert-butyl(dimethyl)silyl]oxypropyl]purin-8-yl]methyl acetate (PubChem CID 152635465) has the molecular formula C17H28N4O3Si and a molecular weight of 364.52 g/mol. Its IUPAC name is [9-[3-[tert-butyl(dimethyl)silyl]oxypropyl]purin-8-yl]methyl acetate.

Molecular Properties

Compound Name[9-[3-[tert-butyl(dimethyl)silyl]oxypropyl]purin-8-yl]methyl acetate
PubChem CID152635465
Molecular FormulaC17H28N4O3Si
Molecular Weight364.52 g/mol
Exact Mass364.19
IUPAC Name[9-[3-[tert-butyl(dimethyl)silyl]oxypropyl]purin-8-yl]methyl acetate
SMILESCC(=O)OCc1nc2cncnc2n1CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H28N4O3Si/c1-13(22)23-11-15-20-14-10-18-12-19-16(14)21(15)8-7-9-24-25(5,6)17(2,3)4/h10,12H,7-9,11H2,1-6H3
InChIKeyZELCVJPXGYUGMK-UHFFFAOYSA-N
XLogP3.30
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.52
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [9-[3-[tert-butyl(dimethyl)silyl]oxypropyl]purin-8-yl]methyl acetate?
The IUPAC name of [9-[3-[tert-butyl(dimethyl)silyl]oxypropyl]purin-8-yl]methyl acetate (CID 152635465) is [9-[3-[tert-butyl(dimethyl)silyl]oxypropyl]purin-8-yl]methyl acetate.
What is the SMILES notation for [9-[3-[tert-butyl(dimethyl)silyl]oxypropyl]purin-8-yl]methyl acetate?
The canonical SMILES for [9-[3-[tert-butyl(dimethyl)silyl]oxypropyl]purin-8-yl]methyl acetate is CC(=O)OCc1nc2cncnc2n1CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of [9-[3-[tert-butyl(dimethyl)silyl]oxypropyl]purin-8-yl]methyl acetate?
The InChIKey is ZELCVJPXGYUGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3Si/c1-13(22)23-11-15-20-14-10-18-12-19-16(14)21(15)8-7-9-24-25(5,6)17(2,3)4/h10,12H,7-9,11H2,1-6H3.
What are the key properties of [9-[3-[tert-butyl(dimethyl)silyl]oxypropyl]purin-8-yl]methyl acetate?
[9-[3-[tert-butyl(dimethyl)silyl]oxypropyl]purin-8-yl]methyl acetate has a molecular weight of 364.52 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[3-[tert-butyl(dimethyl)silyl]oxypropyl]purin-8-yl]methyl acetate is sourced from PubChem (CID 152635465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).