tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2,6-dichloropurin-9-yl)but-2-enoxy]-dimethylsilane

C22H38Cl2N4O2Si2 — CID 11734039

IUPACtert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2,6-dichloropurin-9-yl)but-2-enoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC(=CCn1cnc2c(Cl)nc(Cl)nc21)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H38Cl2N4O2Si2/c1-21(2,3)31(7,8)29-13-16(14-30-32(9,10)22(4,5)6)11-12-28-15-25-17-18(23)26-20(24)27-19(17)28/h11,15H,12-14H2,1-10H3
InChIKeySFPVMQOZBNVXIJ-UHFFFAOYSA-N
MW517.65 g/mol
LogP7.10
Rot. Bonds8

About tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2,6-dichloropurin-9-yl)but-2-enoxy]-dimethylsilane

tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2,6-dichloropurin-9-yl)but-2-enoxy]-dimethylsilane (PubChem CID 11734039) has the molecular formula C22H38Cl2N4O2Si2 and a molecular weight of 517.65 g/mol. Its IUPAC name is tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2,6-dichloropurin-9-yl)but-2-enoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2,6-dichloropurin-9-yl)but-2-enoxy]-dimethylsilane
PubChem CID11734039
Molecular FormulaC22H38Cl2N4O2Si2
Molecular Weight517.65 g/mol
Exact Mass516.19
IUPAC Nametert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2,6-dichloropurin-9-yl)but-2-enoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC(=CCn1cnc2c(Cl)nc(Cl)nc21)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C22H38Cl2N4O2Si2/c1-21(2,3)31(7,8)29-13-16(14-30-32(9,10)22(4,5)6)11-12-28-15-25-17-18(23)26-20(24)27-19(17)28/h11,15H,12-14H2,1-10H3
InChIKeySFPVMQOZBNVXIJ-UHFFFAOYSA-N
XLogP7.10
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.65
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-[(2,6-dichloropurin-9-yl)methyl]cyclopropyl]methoxy]-dimethylsilane
CID 11071526
9-[3-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]propyl]-2-chloro-N-methylpurin-6-amine
CID 11733801
tert-butyl N-[9-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-6-chloropurin-2-yl]carbamate
CID 101468067
2-[2-[2-[2-(2,6-dichloropurin-9-yl)ethoxy]ethoxy]ethoxy]ethanol
CID 155689585
2,6-dichloro-9-[(E)-hept-4-enyl]purine
CID 18440611
tert-butyl 4-[(2,6-dichloropurin-9-yl)methyl]piperidine-1-carboxylate
CID 58285323
ethyl 7-(2,6-dichloropurin-9-yl)heptanoate
CID 118366979
2,6-dichloro-9-(2-pyrrolidin-1-ylethyl)purine
CID 24904110
1-(4-chlorophenyl)-2-(2,6-dichloropurin-9-yl)ethanone
CID 170775423
N-[2-(2,6-dichloropurin-9-yl)ethyl]methanesulfonamide
CID 58285343
tert-butyl N-[(2R)-2-[[2-(2-amino-6-chloropurin-9-yl)acetyl]amino]-3-[tert-butyl(dimethyl)silyl]oxypropyl]carbamate
CID 46910444
2,6-dichloro-9-[(4-methoxy-3-methylphenyl)methyl]purine
CID 11151441

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2,6-dichloropurin-9-yl)but-2-enoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2,6-dichloropurin-9-yl)but-2-enoxy]-dimethylsilane (CID 11734039) is tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2,6-dichloropurin-9-yl)but-2-enoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2,6-dichloropurin-9-yl)but-2-enoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2,6-dichloropurin-9-yl)but-2-enoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCC(=CCn1cnc2c(Cl)nc(Cl)nc21)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2,6-dichloropurin-9-yl)but-2-enoxy]-dimethylsilane?
The InChIKey is SFPVMQOZBNVXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38Cl2N4O2Si2/c1-21(2,3)31(7,8)29-13-16(14-30-32(9,10)22(4,5)6)11-12-28-15-25-17-18(23)26-20(24)27-19(17)28/h11,15H,12-14H2,1-10H3.
What are the key properties of tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2,6-dichloropurin-9-yl)but-2-enoxy]-dimethylsilane?
tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2,6-dichloropurin-9-yl)but-2-enoxy]-dimethylsilane has a molecular weight of 517.65 g/mol, XLogP of 7.10, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-(2,6-dichloropurin-9-yl)but-2-enoxy]-dimethylsilane is sourced from PubChem (CID 11734039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).