1,9-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethenylpurin-2-one

C21H38N4O3Si2 — CID 11102421

IUPAC1,9-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethenylpurin-2-one
SMILESC=Cc1c2ncn(CO[Si](C)(C)C(C)(C)C)c2nc(=O)n1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H38N4O3Si2/c1-12-16-17-18(24(13-22-17)14-27-29(8,9)20(2,3)4)23-19(26)25(16)15-28-30(10,11)21(5,6)7/h12-13H,1,14-15H2,2-11H3
InChIKeyVEKXRRDJYYDPAL-UHFFFAOYSA-N
MW450.73 g/mol
LogP5.19
Rot. Bonds7

About 1,9-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethenylpurin-2-one

1,9-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethenylpurin-2-one (PubChem CID 11102421) has the molecular formula C21H38N4O3Si2 and a molecular weight of 450.73 g/mol. Its IUPAC name is 1,9-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethenylpurin-2-one.

Molecular Properties

Compound Name1,9-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethenylpurin-2-one
PubChem CID11102421
Molecular FormulaC21H38N4O3Si2
Molecular Weight450.73 g/mol
Exact Mass450.25
IUPAC Name1,9-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethenylpurin-2-one
SMILESC=Cc1c2ncn(CO[Si](C)(C)C(C)(C)C)c2nc(=O)n1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H38N4O3Si2/c1-12-16-17-18(24(13-22-17)14-27-29(8,9)20(2,3)4)23-19(26)25(16)15-28-30(10,11)21(5,6)7/h12-13H,1,14-15H2,2-11H3
InChIKeyVEKXRRDJYYDPAL-UHFFFAOYSA-N
XLogP5.19
TPSA71.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.73
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1,9-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(4-methylpent-3-enyl)purin-2-one
CID 11813168
3-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-6-methyl-5H-imidazo[1,2-a]purin-9-one
CID 11047082
tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2,6-dichloropurin-9-yl)but-2-enoxy]-dimethylsilane
CID 11734039
9-[3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propyl]-2-chloro-N-methylpurin-6-amine
CID 11733801
tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2,6-dichloropurin-9-yl)methyl]cyclopropyl]methoxy]-dimethylsilane
CID 11071526
tert-butyl N-[9-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-chloropurin-2-yl]carbamate
CID 101468067
tert-butyl-(2-ethylbut-3-enoxy)-dimethylsilane
CID 86646162
tert-butyl-[2-(methoxymethoxy)but-3-enoxy]-dimethylsilane
CID 76778047
9-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-6-[(2-nitrophenyl)methoxy]purin-2-amine
CID 164884977
4-[6-amino-9-[[tert-butyl(dimethyl)silyl]oxymethyl]purin-8-yl]butan-1-ol
CID 10569967
9-[3,4-bis[[tert-butyl(dimethyl)silyl]oxy]butyl]purin-6-amine
CID 12994167
(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypent-4-en-2-ol
CID 101470111

Frequently Asked Questions

What is the IUPAC name of 1,9-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethenylpurin-2-one?
The IUPAC name of 1,9-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethenylpurin-2-one (CID 11102421) is 1,9-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethenylpurin-2-one.
What is the SMILES notation for 1,9-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethenylpurin-2-one?
The canonical SMILES for 1,9-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethenylpurin-2-one is C=Cc1c2ncn(CO[Si](C)(C)C(C)(C)C)c2nc(=O)n1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1,9-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethenylpurin-2-one?
The InChIKey is VEKXRRDJYYDPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N4O3Si2/c1-12-16-17-18(24(13-22-17)14-27-29(8,9)20(2,3)4)23-19(26)25(16)15-28-30(10,11)21(5,6)7/h12-13H,1,14-15H2,2-11H3.
What are the key properties of 1,9-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethenylpurin-2-one?
1,9-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethenylpurin-2-one has a molecular weight of 450.73 g/mol, XLogP of 5.19, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethenylpurin-2-one is sourced from PubChem (CID 11102421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).