tert-butyl-dimethyl-[(2R)-1-phenylmethoxybutan-2-yl]oxysilane;bis((2R)-2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol);4-[6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxybutoxy]quinolin-2-yl]-N,N-dimethylaniline;2-[4-(dimethylamino)phenyl]quinolin-6-ol;(2R)-1-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxybutan-2-ol;N,N-dimethyl-4-[6-[(2R)-2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline;(2R)-2-ethyloxirane;(2R)-1-phenylmethoxybutan-2-ol

C143H212N8O17Si4 — CID 161485596

IUPACtert-butyl-dimethyl-[(2R)-1-phenylmethoxybutan-2-yl]oxysilane;bis((2R)-2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol);4-[6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxybutoxy]quinolin-2-yl]-N,N-dimethylaniline;2-[4-(dimethylamino)phenyl]quinolin-6-ol;(2R)-1-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxybutan-2-ol;N,N-dimethyl-4-[6-[(2R)-2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline;(2R)-2-ethyloxirane;(2R)-1-phenylmethoxybutan-2-ol
SMILESCC[C@@H](O)COCc1ccccc1.CC[C@@H](O)COc1ccc2nc(-c3ccc(N(C)C)cc3)ccc2c1.CC[C@@H]1CO1.CC[C@H](CO)O[Si](C)(C)C(C)(C)C.CC[C@H](CO)O[Si](C)(C)C(C)(C)C.CC[C@H](COCc1ccccc1)O[Si](C)(C)C(C)(C)C.CC[C@H](COc1ccc2nc(-c3ccc(N(C)C)cc3)ccc2c1)OC1CCCCO1.CC[C@H](COc1ccc2nc(-c3ccc(N(C)C)cc3)ccc2c1)O[Si](C)(C)C(C)(C)C.CN(C)c1ccc(-c2ccc3cc(O)ccc3n2)cc1
InChIInChI=1S/C27H38N2O2Si.C26H32N2O3.C21H24N2O2.C17H16N2O.C17H30O2Si.C11H16O2.2C10H24O2Si.C4H8O/c1-9-23(31-32(7,8)27(2,3)4)19-30-24-15-17-26-21(18-24)12-16-25(28-26)20-10-13-22(14-11-20)29(5)6;1-4-22(31-26-7-5-6-16-29-26)18-30-23-13-15-25-20(17-23)10-14-24(27-25)19-8-11-21(12-9-19)28(2)3;1-4-18(24)14-25-19-10-12-21-16(13-19)7-11-20(22-21)15-5-8-17(9-6-15)23(2)3;1-19(2)14-6-3-12(4-7-14)16-9-5-13-11-15(20)8-10-17(13)18-16;1-7-16(19-20(5,6)17(2,3)4)14-18-13-15-11-9-8-10-12-15;1-2-11(12)9-13-8-10-6-4-3-5-7-10;2*1-7-9(8-11)12-13(5,6)10(2,3)4;1-2-4-3-5-4/h10-18,23H,9,19H2,1-8H3;8-15,17,22,26H,4-7,16,18H2,1-3H3;5-13,18,24H,4,14H2,1-3H3;3-11,20H,1-2H3;8-12,16H,7,13-14H2,1-6H3;3-7,11-12H,2,8-9H2,1H3;2*9,11H,7-8H2,1-6H3;4H,2-3H2,1H3/t23-;22-,26?;18-;;16-;11-;2*9-;4-/m111.11111/s1
InChIKeyWEXXXZBYZQIRQK-IJHYFEDDSA-N
MW2427.65 g/mol
LogP33.94
Rot. Bonds45

About tert-butyl-dimethyl-[(2R)-1-phenylmethoxybutan-2-yl]oxysilane;bis((2R)-2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol);4-[6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxybutoxy]quinolin-2-yl]-N,N-dimethylaniline;2-[4-(dimethylamino)phenyl]quinolin-6-ol;(2R)-1-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxybutan-2-ol;N,N-dimethyl-4-[6-[(2R)-2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline;(2R)-2-ethyloxirane;(2R)-1-phenylmethoxybutan-2-ol

tert-butyl-dimethyl-[(2R)-1-phenylmethoxybutan-2-yl]oxysilane;bis((2R)-2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol);4-[6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxybutoxy]quinolin-2-yl]-N,N-dimethylaniline;2-[4-(dimethylamino)phenyl]quinolin-6-ol;(2R)-1-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxybutan-2-ol;N,N-dimethyl-4-[6-[(2R)-2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline;(2R)-2-ethyloxirane;(2R)-1-phenylmethoxybutan-2-ol (PubChem CID 161485596) has the molecular formula C143H212N8O17Si4 and a molecular weight of 2427.65 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2R)-1-phenylmethoxybutan-2-yl]oxysilane;bis((2R)-2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol);4-[6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxybutoxy]quinolin-2-yl]-N,N-dimethylaniline;2-[4-(dimethylamino)phenyl]quinolin-6-ol;(2R)-1-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxybutan-2-ol;N,N-dimethyl-4-[6-[(2R)-2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline;(2R)-2-ethyloxirane;(2R)-1-phenylmethoxybutan-2-ol.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2R)-1-phenylmethoxybutan-2-yl]oxysilane;bis((2R)-2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol);4-[6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxybutoxy]quinolin-2-yl]-N,N-dimethylaniline;2-[4-(dimethylamino)phenyl]quinolin-6-ol;(2R)-1-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxybutan-2-ol;N,N-dimethyl-4-[6-[(2R)-2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline;(2R)-2-ethyloxirane;(2R)-1-phenylmethoxybutan-2-ol
PubChem CID161485596
Molecular FormulaC143H212N8O17Si4
Molecular Weight2427.65 g/mol
Exact Mass2425.50
IUPAC Nametert-butyl-dimethyl-[(2R)-1-phenylmethoxybutan-2-yl]oxysilane;bis((2R)-2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol);4-[6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxybutoxy]quinolin-2-yl]-N,N-dimethylaniline;2-[4-(dimethylamino)phenyl]quinolin-6-ol;(2R)-1-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxybutan-2-ol;N,N-dimethyl-4-[6-[(2R)-2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline;(2R)-2-ethyloxirane;(2R)-1-phenylmethoxybutan-2-ol
SMILESCC[C@@H](O)COCc1ccccc1.CC[C@@H](O)COc1ccc2nc(-c3ccc(N(C)C)cc3)ccc2c1.CC[C@@H]1CO1.CC[C@H](CO)O[Si](C)(C)C(C)(C)C.CC[C@H](CO)O[Si](C)(C)C(C)(C)C.CC[C@H](COCc1ccccc1)O[Si](C)(C)C(C)(C)C.CC[C@H](COc1ccc2nc(-c3ccc(N(C)C)cc3)ccc2c1)OC1CCCCO1.CC[C@H](COc1ccc2nc(-c3ccc(N(C)C)cc3)ccc2c1)O[Si](C)(C)C(C)(C)C.CN(C)c1ccc(-c2ccc3cc(O)ccc3n2)cc1
InChIInChI=1S/C27H38N2O2Si.C26H32N2O3.C21H24N2O2.C17H16N2O.C17H30O2Si.C11H16O2.2C10H24O2Si.C4H8O/c1-9-23(31-32(7,8)27(2,3)4)19-30-24-15-17-26-21(18-24)12-16-25(28-26)20-10-13-22(14-11-20)29(5)6;1-4-22(31-26-7-5-6-16-29-26)18-30-23-13-15-25-20(17-23)10-14-24(27-25)19-8-11-21(12-9-19)28(2)3;1-4-18(24)14-25-19-10-12-21-16(13-19)7-11-20(22-21)15-5-8-17(9-6-15)23(2)3;1-19(2)14-6-3-12(4-7-14)16-9-5-13-11-15(20)8-10-17(13)18-16;1-7-16(19-20(5,6)17(2,3)4)14-18-13-15-11-9-8-10-12-15;1-2-11(12)9-13-8-10-6-4-3-5-7-10;2*1-7-9(8-11)12-13(5,6)10(2,3)4;1-2-4-3-5-4/h10-18,23H,9,19H2,1-8H3;8-15,17,22,26H,4-7,16,18H2,1-3H3;5-13,18,24H,4,14H2,1-3H3;3-11,20H,1-2H3;8-12,16H,7,13-14H2,1-6H3;3-7,11-12H,2,8-9H2,1H3;2*9,11H,7-8H2,1-6H3;4H,2-3H2,1H3/t23-;22-,26?;18-;;16-;11-;2*9-;4-/m111.11111/s1
InChIKeyWEXXXZBYZQIRQK-IJHYFEDDSA-N
XLogP33.94
TPSA279.73 Ų
H-Bond Donors5
H-Bond Acceptors25
Rotatable Bonds45
Heavy Atoms172
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002427.65
LogP ≤ 533.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze tert-butyl-dimethyl-[(2R)-1-phenylmethoxybutan-2-yl]oxysilane;bis((2R)-2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol);4-[6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxybutoxy]quinolin-2-yl]-N,N-dimethylaniline;2-[4-(dimethylamino)phenyl]quinolin-6-ol;(2R)-1-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxybutan-2-ol;N,N-dimethyl-4-[6-[(2R)-2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline;(2R)-2-ethyloxirane;(2R)-1-phenylmethoxybutan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2R)-1-phenylmethoxybutan-2-yl]oxysilane;bis((2R)-2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol);4-[6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxybutoxy]quinolin-2-yl]-N,N-dimethylaniline;2-[4-(dimethylamino)phenyl]quinolin-6-ol;(2R)-1-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxybutan-2-ol;N,N-dimethyl-4-[6-[(2R)-2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline;(2R)-2-ethyloxirane;(2R)-1-phenylmethoxybutan-2-ol?
The IUPAC name of tert-butyl-dimethyl-[(2R)-1-phenylmethoxybutan-2-yl]oxysilane;bis((2R)-2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol);4-[6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxybutoxy]quinolin-2-yl]-N,N-dimethylaniline;2-[4-(dimethylamino)phenyl]quinolin-6-ol;(2R)-1-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxybutan-2-ol;N,N-dimethyl-4-[6-[(2R)-2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline;(2R)-2-ethyloxirane;(2R)-1-phenylmethoxybutan-2-ol (CID 161485596) is tert-butyl-dimethyl-[(2R)-1-phenylmethoxybutan-2-yl]oxysilane;bis((2R)-2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol);4-[6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxybutoxy]quinolin-2-yl]-N,N-dimethylaniline;2-[4-(dimethylamino)phenyl]quinolin-6-ol;(2R)-1-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxybutan-2-ol;N,N-dimethyl-4-[6-[(2R)-2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline;(2R)-2-ethyloxirane;(2R)-1-phenylmethoxybutan-2-ol.
What is the SMILES notation for tert-butyl-dimethyl-[(2R)-1-phenylmethoxybutan-2-yl]oxysilane;bis((2R)-2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol);4-[6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxybutoxy]quinolin-2-yl]-N,N-dimethylaniline;2-[4-(dimethylamino)phenyl]quinolin-6-ol;(2R)-1-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxybutan-2-ol;N,N-dimethyl-4-[6-[(2R)-2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline;(2R)-2-ethyloxirane;(2R)-1-phenylmethoxybutan-2-ol?
The canonical SMILES for tert-butyl-dimethyl-[(2R)-1-phenylmethoxybutan-2-yl]oxysilane;bis((2R)-2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol);4-[6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxybutoxy]quinolin-2-yl]-N,N-dimethylaniline;2-[4-(dimethylamino)phenyl]quinolin-6-ol;(2R)-1-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxybutan-2-ol;N,N-dimethyl-4-[6-[(2R)-2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline;(2R)-2-ethyloxirane;(2R)-1-phenylmethoxybutan-2-ol is CC[C@@H](O)COCc1ccccc1.CC[C@@H](O)COc1ccc2nc(-c3ccc(N(C)C)cc3)ccc2c1.CC[C@@H]1CO1.CC[C@H](CO)O[Si](C)(C)C(C)(C)C.CC[C@H](CO)O[Si](C)(C)C(C)(C)C.CC[C@H](COCc1ccccc1)O[Si](C)(C)C(C)(C)C.CC[C@H](COc1ccc2nc(-c3ccc(N(C)C)cc3)ccc2c1)OC1CCCCO1.CC[C@H](COc1ccc2nc(-c3ccc(N(C)C)cc3)ccc2c1)O[Si](C)(C)C(C)(C)C.CN(C)c1ccc(-c2ccc3cc(O)ccc3n2)cc1.
What is the InChIKey of tert-butyl-dimethyl-[(2R)-1-phenylmethoxybutan-2-yl]oxysilane;bis((2R)-2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol);4-[6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxybutoxy]quinolin-2-yl]-N,N-dimethylaniline;2-[4-(dimethylamino)phenyl]quinolin-6-ol;(2R)-1-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxybutan-2-ol;N,N-dimethyl-4-[6-[(2R)-2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline;(2R)-2-ethyloxirane;(2R)-1-phenylmethoxybutan-2-ol?
The InChIKey is WEXXXZBYZQIRQK-IJHYFEDDSA-N. The full InChI is InChI=1S/C27H38N2O2Si.C26H32N2O3.C21H24N2O2.C17H16N2O.C17H30O2Si.C11H16O2.2C10H24O2Si.C4H8O/c1-9-23(31-32(7,8)27(2,3)4)19-30-24-15-17-26-21(18-24)12-16-25(28-26)20-10-13-22(14-11-20)29(5)6;1-4-22(31-26-7-5-6-16-29-26)18-30-23-13-15-25-20(17-23)10-14-24(27-25)19-8-11-21(12-9-19)28(2)3;1-4-18(24)14-25-19-10-12-21-16(13-19)7-11-20(22-21)15-5-8-17(9-6-15)23(2)3;1-19(2)14-6-3-12(4-7-14)16-9-5-13-11-15(20)8-10-17(13)18-16;1-7-16(19-20(5,6)17(2,3)4)14-18-13-15-11-9-8-10-12-15;1-2-11(12)9-13-8-10-6-4-3-5-7-10;2*1-7-9(8-11)12-13(5,6)10(2,3)4;1-2-4-3-5-4/h10-18,23H,9,19H2,1-8H3;8-15,17,22,26H,4-7,16,18H2,1-3H3;5-13,18,24H,4,14H2,1-3H3;3-11,20H,1-2H3;8-12,16H,7,13-14H2,1-6H3;3-7,11-12H,2,8-9H2,1H3;2*9,11H,7-8H2,1-6H3;4H,2-3H2,1H3/t23-;22-,26?;18-;;16-;11-;2*9-;4-/m111.11111/s1.
What are the key properties of tert-butyl-dimethyl-[(2R)-1-phenylmethoxybutan-2-yl]oxysilane;bis((2R)-2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol);4-[6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxybutoxy]quinolin-2-yl]-N,N-dimethylaniline;2-[4-(dimethylamino)phenyl]quinolin-6-ol;(2R)-1-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxybutan-2-ol;N,N-dimethyl-4-[6-[(2R)-2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline;(2R)-2-ethyloxirane;(2R)-1-phenylmethoxybutan-2-ol?
tert-butyl-dimethyl-[(2R)-1-phenylmethoxybutan-2-yl]oxysilane;bis((2R)-2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol);4-[6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxybutoxy]quinolin-2-yl]-N,N-dimethylaniline;2-[4-(dimethylamino)phenyl]quinolin-6-ol;(2R)-1-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxybutan-2-ol;N,N-dimethyl-4-[6-[(2R)-2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline;(2R)-2-ethyloxirane;(2R)-1-phenylmethoxybutan-2-ol has a molecular weight of 2427.65 g/mol, XLogP of 33.94, 45 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2R)-1-phenylmethoxybutan-2-yl]oxysilane;bis((2R)-2-[tert-butyl(dimethyl)silyl]oxybutan-1-ol);4-[6-[(2R)-2-[tert-butyl(dimethyl)silyl]oxybutoxy]quinolin-2-yl]-N,N-dimethylaniline;2-[4-(dimethylamino)phenyl]quinolin-6-ol;(2R)-1-[2-[4-(dimethylamino)phenyl]quinolin-6-yl]oxybutan-2-ol;N,N-dimethyl-4-[6-[(2R)-2-(oxan-2-yloxy)butoxy]quinolin-2-yl]aniline;(2R)-2-ethyloxirane;(2R)-1-phenylmethoxybutan-2-ol is sourced from PubChem (CID 161485596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).