tert-butyl-dimethyl-[4-[4-(2-quinazolin-4-yloxyethyl)phenyl]butoxy]silane

C26H36N2O2Si — CID 59678692

IUPACtert-butyl-dimethyl-[4-[4-(2-quinazolin-4-yloxyethyl)phenyl]butoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCCCCc1ccc(CCOc2ncnc3ccccc23)cc1
InChIInChI=1S/C26H36N2O2Si/c1-26(2,3)31(4,5)30-18-9-8-10-21-13-15-22(16-14-21)17-19-29-25-23-11-6-7-12-24(23)27-20-28-25/h6-7,11-16,20H,8-10,17-19H2,1-5H3
InChIKeyMZQAQGGQIPMFHB-UHFFFAOYSA-N
MW436.67 g/mol
LogP6.60
Rot. Bonds10

About tert-butyl-dimethyl-[4-[4-(2-quinazolin-4-yloxyethyl)phenyl]butoxy]silane

tert-butyl-dimethyl-[4-[4-(2-quinazolin-4-yloxyethyl)phenyl]butoxy]silane (PubChem CID 59678692) has the molecular formula C26H36N2O2Si and a molecular weight of 436.67 g/mol. Its IUPAC name is tert-butyl-dimethyl-[4-[4-(2-quinazolin-4-yloxyethyl)phenyl]butoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[4-[4-(2-quinazolin-4-yloxyethyl)phenyl]butoxy]silane
PubChem CID59678692
Molecular FormulaC26H36N2O2Si
Molecular Weight436.67 g/mol
Exact Mass436.25
IUPAC Nametert-butyl-dimethyl-[4-[4-(2-quinazolin-4-yloxyethyl)phenyl]butoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCCCCc1ccc(CCOc2ncnc3ccccc23)cc1
InChIInChI=1S/C26H36N2O2Si/c1-26(2,3)31(4,5)30-18-9-8-10-21-13-15-22(16-14-21)17-19-29-25-23-11-6-7-12-24(23)27-20-28-25/h6-7,11-16,20H,8-10,17-19H2,1-5H3
InChIKeyMZQAQGGQIPMFHB-UHFFFAOYSA-N
XLogP6.60
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.67
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-[4-[4-(2-quinazolin-4-yloxyethyl)phenyl]butoxy]silane;2-[4-[4-[tert-butyl(dimethyl)silyl]oxybutyl]phenyl]ethanol;4-chloroquinazoline
CID 159619273
4-(2-quinazolin-4-yloxyethyl)benzonitrile
CID 67619603
methyl 4-[4-(2-quinazolin-4-yloxyethyl)phenyl]butanoate;4-[4-(2-quinazolin-4-yloxyethyl)phenyl]butan-1-ol
CID 162099708
butan-1-ol;4-[2-(4-methylphenyl)ethoxy]quinazoline
CID 143095074
tert-butyl-dimethyl-(2-phenylethoxy)silane
CID 11128311
4-(5-bromopentoxy)quinazoline
CID 163216994
tert-butyl-dimethyl-[4-(6-propan-2-yl-3-pyridinyl)butoxy]silane
CID 175965094
[5-[9-[tert-butyl(dimethyl)silyl]oxynonyl]-2-pyridinyl]methanamine
CID 156732410
4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]aniline
CID 86731586
4-[2-(4-tert-butyl-6-methylcyclohexa-1,3-dien-1-yl)ethoxy]quinazoline
CID 135227214
4-[2-(3-phenylsulfanylphenyl)ethoxy]quinazoline
CID 67620011
tert-butyl-dimethyl-[2-(4-triphenylsilylphenyl)ethoxy]silane
CID 58097772

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[4-[4-(2-quinazolin-4-yloxyethyl)phenyl]butoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[4-[4-(2-quinazolin-4-yloxyethyl)phenyl]butoxy]silane (CID 59678692) is tert-butyl-dimethyl-[4-[4-(2-quinazolin-4-yloxyethyl)phenyl]butoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[4-[4-(2-quinazolin-4-yloxyethyl)phenyl]butoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[4-[4-(2-quinazolin-4-yloxyethyl)phenyl]butoxy]silane is CC(C)(C)[Si](C)(C)OCCCCc1ccc(CCOc2ncnc3ccccc23)cc1.
What is the InChIKey of tert-butyl-dimethyl-[4-[4-(2-quinazolin-4-yloxyethyl)phenyl]butoxy]silane?
The InChIKey is MZQAQGGQIPMFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O2Si/c1-26(2,3)31(4,5)30-18-9-8-10-21-13-15-22(16-14-21)17-19-29-25-23-11-6-7-12-24(23)27-20-28-25/h6-7,11-16,20H,8-10,17-19H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-[4-[4-(2-quinazolin-4-yloxyethyl)phenyl]butoxy]silane?
tert-butyl-dimethyl-[4-[4-(2-quinazolin-4-yloxyethyl)phenyl]butoxy]silane has a molecular weight of 436.67 g/mol, XLogP of 6.60, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[4-[4-(2-quinazolin-4-yloxyethyl)phenyl]butoxy]silane is sourced from PubChem (CID 59678692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).