1,9-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(4-methylpent-3-enyl)purin-2-one

C25H46N4O3Si2 — CID 11813168

IUPAC1,9-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(4-methylpent-3-enyl)purin-2-one
SMILESCC(C)=CCCc1c2ncn(CO[Si](C)(C)C(C)(C)C)c2nc(=O)n1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H46N4O3Si2/c1-19(2)14-13-15-20-21-22(28(16-26-21)17-31-33(9,10)24(3,4)5)27-23(30)29(20)18-32-34(11,12)25(6,7)8/h14,16H,13,15,17-18H2,1-12H3
InChIKeyWPUSUCCOZWEDDS-UHFFFAOYSA-N
MW506.84 g/mol
LogP6.45
Rot. Bonds9

About 1,9-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(4-methylpent-3-enyl)purin-2-one

1,9-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(4-methylpent-3-enyl)purin-2-one (PubChem CID 11813168) has the molecular formula C25H46N4O3Si2 and a molecular weight of 506.84 g/mol. Its IUPAC name is 1,9-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(4-methylpent-3-enyl)purin-2-one.

Molecular Properties

Compound Name1,9-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(4-methylpent-3-enyl)purin-2-one
PubChem CID11813168
Molecular FormulaC25H46N4O3Si2
Molecular Weight506.84 g/mol
Exact Mass506.31
IUPAC Name1,9-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(4-methylpent-3-enyl)purin-2-one
SMILESCC(C)=CCCc1c2ncn(CO[Si](C)(C)C(C)(C)C)c2nc(=O)n1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C25H46N4O3Si2/c1-19(2)14-13-15-20-21-22(28(16-26-21)17-31-33(9,10)24(3,4)5)27-23(30)29(20)18-32-34(11,12)25(6,7)8/h14,16H,13,15,17-18H2,1-12H3
InChIKeyWPUSUCCOZWEDDS-UHFFFAOYSA-N
XLogP6.45
TPSA71.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.84
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1,9-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-6-ethenylpurin-2-one
CID 11102421
tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2,6-dichloropurin-9-yl)but-2-enoxy]-dimethylsilane
CID 11734039
tert-butyl N-[9-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-chloropurin-2-yl]carbamate
CID 101468067
4-[6-amino-9-[[tert-butyl(dimethyl)silyl]oxymethyl]purin-8-yl]butan-1-ol
CID 10569967
3-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-6-methyl-5H-imidazo[1,2-a]purin-9-one
CID 11047082
2-[1-[tert-butyl(dimethyl)silyl]oxy-9-methyldec-8-en-5-yl]oxyisoindole-1,3-dione
CID 54754261
2-[(1Z)-1-[tert-butyl(dimethyl)silyl]oxy-9-methyldeca-1,8-dien-5-yl]oxyisoindole-1,3-dione
CID 54754439
tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2,6-dichloropurin-9-yl)methyl]cyclopropyl]methoxy]-dimethylsilane
CID 11071526
tert-butyl-dimethyl-(3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenoxy)silane
CID 85403077
(3S,4S,5S)-4-(6-aminopurin-9-yl)-5-[3-[tert-butyl(dimethyl)silyl]oxypropyl]oxolan-3-ol
CID 66574369
4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-4-(3-methylbut-2-enyl)cyclohexa-2,5-dien-1-one
CID 162786763
9-[2-[tert-butyl(dimethyl)silyl]oxyethoxymethyl]-6-[(2-nitrophenyl)methoxy]purin-2-amine
CID 164884977

Frequently Asked Questions

What is the IUPAC name of 1,9-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(4-methylpent-3-enyl)purin-2-one?
The IUPAC name of 1,9-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(4-methylpent-3-enyl)purin-2-one (CID 11813168) is 1,9-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(4-methylpent-3-enyl)purin-2-one.
What is the SMILES notation for 1,9-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(4-methylpent-3-enyl)purin-2-one?
The canonical SMILES for 1,9-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(4-methylpent-3-enyl)purin-2-one is CC(C)=CCCc1c2ncn(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-(4-methylpent-3-enyl)purin-2-one?
The InChIKey is WPUSUCCOZWEDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46N4O3Si2/c1-19(2)14-13-15-20-21-22(28(16-26-21)17-31-33(9,10)24(3,4)5)27-23(30)29(20)18-32-34(11,12)25(6,7)8/h14,16H,13,15,17-18H2,1-12H3.
What are the key properties of 1,9-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(4-methylpent-3-enyl)purin-2-one?
1,9-bis[[tert-butyl(dimethyl)silyl]oxymethyl]-6-(4-methylpent-3-enyl)purin-2-one has a molecular weight of 506.84 g/mol, XLogP of 6.45, 9 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-(4-methylpent-3-enyl)purin-2-one is sourced from PubChem (CID 11813168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).