tert-butyl-diphenyl-[(2R)-2-quinolin-4-ylpropoxy]silane

C28H31NOSi — CID 101225557

IUPACtert-butyl-diphenyl-[(2R)-2-quinolin-4-ylpropoxy]silane
SMILESC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccnc2ccccc12
InChIInChI=1S/C28H31NOSi/c1-22(25-19-20-29-27-18-12-11-17-26(25)27)21-30-31(28(2,3)4,23-13-7-5-8-14-23)24-15-9-6-10-16-24/h5-20,22H,21H2,1-4H3/t22-/m0/s1
InChIKeyDFJBQXCPKPDTGW-QFIPXVFZSA-N
MW425.65 g/mol
LogP5.91
Rot. Bonds6

About tert-butyl-diphenyl-[(2R)-2-quinolin-4-ylpropoxy]silane

tert-butyl-diphenyl-[(2R)-2-quinolin-4-ylpropoxy]silane (PubChem CID 101225557) has the molecular formula C28H31NOSi and a molecular weight of 425.65 g/mol. Its IUPAC name is tert-butyl-diphenyl-[(2R)-2-quinolin-4-ylpropoxy]silane.

Molecular Properties

Compound Nametert-butyl-diphenyl-[(2R)-2-quinolin-4-ylpropoxy]silane
PubChem CID101225557
Molecular FormulaC28H31NOSi
Molecular Weight425.65 g/mol
Exact Mass425.22
IUPAC Nametert-butyl-diphenyl-[(2R)-2-quinolin-4-ylpropoxy]silane
SMILESC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccnc2ccccc12
InChIInChI=1S/C28H31NOSi/c1-22(25-19-20-29-27-18-12-11-17-26(25)27)21-30-31(28(2,3)4,23-13-7-5-8-14-23)24-15-9-6-10-16-24/h5-20,22H,21H2,1-4H3/t22-/m0/s1
InChIKeyDFJBQXCPKPDTGW-QFIPXVFZSA-N
XLogP5.91
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.65
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]quinoline
CID 101225563
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
4-[(2S)-1-(4-nitrophenoxy)propan-2-yl]quinoline
CID 101225566
tert-butyl-(3-iodo-2-methylpropoxy)-diphenylsilane
CID 14262200
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-sulfanylpropan-2-ol
CID 15451317
[4-[(2S)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]phenyl]methanol
CID 54762237
1-quinolin-4-ylethanamine;dihydrochloride
CID 69169049
4-(1-piperazin-1-ylpropan-2-yl)quinoline
CID 116985454
CID 160608048
CID 160608048
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylbutanenitrile
CID 135070685
(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3-methylbutanal
CID 134973268

Frequently Asked Questions

What is the IUPAC name of tert-butyl-diphenyl-[(2R)-2-quinolin-4-ylpropoxy]silane?
The IUPAC name of tert-butyl-diphenyl-[(2R)-2-quinolin-4-ylpropoxy]silane (CID 101225557) is tert-butyl-diphenyl-[(2R)-2-quinolin-4-ylpropoxy]silane.
What is the SMILES notation for tert-butyl-diphenyl-[(2R)-2-quinolin-4-ylpropoxy]silane?
The canonical SMILES for tert-butyl-diphenyl-[(2R)-2-quinolin-4-ylpropoxy]silane is C[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)c1ccnc2ccccc12.
What is the InChIKey of tert-butyl-diphenyl-[(2R)-2-quinolin-4-ylpropoxy]silane?
The InChIKey is DFJBQXCPKPDTGW-QFIPXVFZSA-N. The full InChI is InChI=1S/C28H31NOSi/c1-22(25-19-20-29-27-18-12-11-17-26(25)27)21-30-31(28(2,3)4,23-13-7-5-8-14-23)24-15-9-6-10-16-24/h5-20,22H,21H2,1-4H3/t22-/m0/s1.
What are the key properties of tert-butyl-diphenyl-[(2R)-2-quinolin-4-ylpropoxy]silane?
tert-butyl-diphenyl-[(2R)-2-quinolin-4-ylpropoxy]silane has a molecular weight of 425.65 g/mol, XLogP of 5.91, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-diphenyl-[(2R)-2-quinolin-4-ylpropoxy]silane is sourced from PubChem (CID 101225557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).