[tert-butyl(dimethyl)silyl] 4,8-bis[[tert-butyl(dimethyl)silyl]oxy]quinoline-2-carboxylate

C28H49NO4Si3 — CID 6430582

IUPAC[tert-butyl(dimethyl)silyl] 4,8-bis[[tert-butyl(dimethyl)silyl]oxy]quinoline-2-carboxylate
SMILESCC(C)(C)[Si](C)(C)OC(=O)c1cc(O[Si](C)(C)C(C)(C)C)c2cccc(O[Si](C)(C)C(C)(C)C)c2n1
InChIInChI=1S/C28H49NO4Si3/c1-26(2,3)34(10,11)31-22-18-16-17-20-23(32-35(12,13)27(4,5)6)19-21(29-24(20)22)25(30)33-36(14,15)28(7,8)9/h16-19H,1-15H3
InChIKeyIRJIRIHKMGRQPY-UHFFFAOYSA-N
MW547.96 g/mol
LogP9.16
Rot. Bonds6

About [tert-butyl(dimethyl)silyl] 4,8-bis[[tert-butyl(dimethyl)silyl]oxy]quinoline-2-carboxylate

[tert-butyl(dimethyl)silyl] 4,8-bis[[tert-butyl(dimethyl)silyl]oxy]quinoline-2-carboxylate (PubChem CID 6430582) has the molecular formula C28H49NO4Si3 and a molecular weight of 547.96 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 4,8-bis[[tert-butyl(dimethyl)silyl]oxy]quinoline-2-carboxylate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 4,8-bis[[tert-butyl(dimethyl)silyl]oxy]quinoline-2-carboxylate
PubChem CID6430582
Molecular FormulaC28H49NO4Si3
Molecular Weight547.96 g/mol
Exact Mass547.30
IUPAC Name[tert-butyl(dimethyl)silyl] 4,8-bis[[tert-butyl(dimethyl)silyl]oxy]quinoline-2-carboxylate
SMILESCC(C)(C)[Si](C)(C)OC(=O)c1cc(O[Si](C)(C)C(C)(C)C)c2cccc(O[Si](C)(C)C(C)(C)C)c2n1
InChIInChI=1S/C28H49NO4Si3/c1-26(2,3)34(10,11)31-22-18-16-17-20-23(32-35(12,13)27(4,5)6)19-21(29-24(20)22)25(30)33-36(14,15)28(7,8)9/h16-19H,1-15H3
InChIKeyIRJIRIHKMGRQPY-UHFFFAOYSA-N
XLogP9.16
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.96
LogP ≤ 59.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [tert-butyl(dimethyl)silyl] 4,8-bis[[tert-butyl(dimethyl)silyl]oxy]quinoline-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl-[12-[tert-butyl(dimethyl)silyl]oxychrysen-6-yl]oxy-dimethylsilane
CID 15399749
methyl 7-[tert-butyl(dimethyl)silyl]oxy-1-benzofuran-2-carboxylate
CID 58782322
bis[tert-butyl(dimethyl)silyl] benzene-1,2-dicarboxylate
CID 630744
methyl 4-methoxy-8-propoxyquinoline-2-carboxylate
CID 102941864
2-[tert-butyl(dimethyl)silyl]oxyphenol
CID 10878826
methyl 8-chloro-4-methoxyquinoline-2-carboxylate
CID 53419812
[6-[tert-butyl(dimethyl)silyl]oxynaphthalen-1-yl] acridine-9-carboxylate
CID 18987972
[tert-butyl(dimethyl)silyl] 3-[tert-butyl(dimethyl)silyl]oxy-4-chloro-2-methylbenzoate
CID 18992073
propyl 3,4,5-tris[[tert-butyl(dimethyl)silyl]oxy]benzoate
CID 91742551
(1R)-4-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydro-1H-inden-1-ol
CID 124636580
[tert-butyl(dimethyl)silyl] 5-deuterio-2-methoxybenzoate
CID 87809694
[tert-butyl(dimethyl)silyl] furan-2-carboxylate
CID 580774

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(dimethyl)silyl] 4,8-bis[[tert-butyl(dimethyl)silyl]oxy]quinoline-2-carboxylate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 4,8-bis[[tert-butyl(dimethyl)silyl]oxy]quinoline-2-carboxylate (CID 6430582) is [tert-butyl(dimethyl)silyl] 4,8-bis[[tert-butyl(dimethyl)silyl]oxy]quinoline-2-carboxylate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 4,8-bis[[tert-butyl(dimethyl)silyl]oxy]quinoline-2-carboxylate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 4,8-bis[[tert-butyl(dimethyl)silyl]oxy]quinoline-2-carboxylate is CC(C)(C)[Si](C)(C)OC(=O)c1cc(O[Si](C)(C)C(C)(C)C)c2cccc(O[Si](C)(C)C(C)(C)C)c2n1.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 4,8-bis[[tert-butyl(dimethyl)silyl]oxy]quinoline-2-carboxylate?
The InChIKey is IRJIRIHKMGRQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H49NO4Si3/c1-26(2,3)34(10,11)31-22-18-16-17-20-23(32-35(12,13)27(4,5)6)19-21(29-24(20)22)25(30)33-36(14,15)28(7,8)9/h16-19H,1-15H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 4,8-bis[[tert-butyl(dimethyl)silyl]oxy]quinoline-2-carboxylate?
[tert-butyl(dimethyl)silyl] 4,8-bis[[tert-butyl(dimethyl)silyl]oxy]quinoline-2-carboxylate has a molecular weight of 547.96 g/mol, XLogP of 9.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 4,8-bis[[tert-butyl(dimethyl)silyl]oxy]quinoline-2-carboxylate is sourced from PubChem (CID 6430582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).