tert-butyl-dimethyl-(7H-purin-8-ylmethoxy)silane

C12H20N4OSi — CID 18931509

IUPACtert-butyl-dimethyl-(7H-purin-8-ylmethoxy)silane
SMILESCC(C)(C)[Si](C)(C)OCc1nc2ncncc2[nH]1
InChIInChI=1S/C12H20N4OSi/c1-12(2,3)18(4,5)17-7-10-15-9-6-13-8-14-11(9)16-10/h6,8H,7H2,1-5H3,(H,13,14,15,16)
InChIKeyKKFACQDQGPOJSN-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.87
Rot. Bonds3

About tert-butyl-dimethyl-(7H-purin-8-ylmethoxy)silane

tert-butyl-dimethyl-(7H-purin-8-ylmethoxy)silane (PubChem CID 18931509) has the molecular formula C12H20N4OSi and a molecular weight of 264.40 g/mol. Its IUPAC name is tert-butyl-dimethyl-(7H-purin-8-ylmethoxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(7H-purin-8-ylmethoxy)silane
PubChem CID18931509
Molecular FormulaC12H20N4OSi
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Nametert-butyl-dimethyl-(7H-purin-8-ylmethoxy)silane
SMILESCC(C)(C)[Si](C)(C)OCc1nc2ncncc2[nH]1
InChIInChI=1S/C12H20N4OSi/c1-12(2,3)18(4,5)17-7-10-15-9-6-13-8-14-11(9)16-10/h6,8H,7H2,1-5H3,(H,13,14,15,16)
InChIKeyKKFACQDQGPOJSN-UHFFFAOYSA-N
XLogP2.87
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.87
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 tert-butyl-dimethyl-(7H-purin-8-ylmethoxy)silane?
The IUPAC name of tert-butyl-dimethyl-(7H-purin-8-ylmethoxy)silane (CID 18931509) is tert-butyl-dimethyl-(7H-purin-8-ylmethoxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(7H-purin-8-ylmethoxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(7H-purin-8-ylmethoxy)silane is CC(C)(C)[Si](C)(C)OCc1nc2ncncc2[nH]1.
What is the InChIKey of tert-butyl-dimethyl-(7H-purin-8-ylmethoxy)silane?
The InChIKey is KKFACQDQGPOJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OSi/c1-12(2,3)18(4,5)17-7-10-15-9-6-13-8-14-11(9)16-10/h6,8H,7H2,1-5H3,(H,13,14,15,16).
What are the key properties of tert-butyl-dimethyl-(7H-purin-8-ylmethoxy)silane?
tert-butyl-dimethyl-(7H-purin-8-ylmethoxy)silane has a molecular weight of 264.40 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(7H-purin-8-ylmethoxy)silane is sourced from PubChem (CID 18931509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).