(6R)-4-[2-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)morpholin-3-one

C27H35Cl2NO3Si — CID 163845594

IUPAC(6R)-4-[2-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)morpholin-3-one
SMILESCC(C)(C)[Si](C)(C)OCC(C1CC1)N1C(=O)CO[C@H](c2cccc(Cl)c2)C1c1ccc(Cl)cc1
InChIInChI=1S/C27H35Cl2NO3Si/c1-27(2,3)34(4,5)33-16-23(18-9-10-18)30-24(31)17-32-26(20-7-6-8-22(29)15-20)25(30)19-11-13-21(28)14-12-19/h6-8,11-15,18,23,25-26H,9-10,16-17H2,1-5H3/t23?,25?,26-/m1/s1
InChIKeyOPWDCCXVGNVGKB-QDQFNNJSSA-N
MW520.57 g/mol
LogP7.43
Rot. Bonds7

About (6R)-4-[2-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)morpholin-3-one

(6R)-4-[2-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)morpholin-3-one (PubChem CID 163845594) has the molecular formula C27H35Cl2NO3Si and a molecular weight of 520.57 g/mol. Its IUPAC name is (6R)-4-[2-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)morpholin-3-one.

Molecular Properties

Compound Name(6R)-4-[2-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)morpholin-3-one
PubChem CID163845594
Molecular FormulaC27H35Cl2NO3Si
Molecular Weight520.57 g/mol
Exact Mass519.18
IUPAC Name(6R)-4-[2-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)morpholin-3-one
SMILESCC(C)(C)[Si](C)(C)OCC(C1CC1)N1C(=O)CO[C@H](c2cccc(Cl)c2)C1c1ccc(Cl)cc1
InChIInChI=1S/C27H35Cl2NO3Si/c1-27(2,3)34(4,5)33-16-23(18-9-10-18)30-24(31)17-32-26(20-7-6-8-22(29)15-20)25(30)19-11-13-21(28)14-12-19/h6-8,11-15,18,23,25-26H,9-10,16-17H2,1-5H3/t23?,25?,26-/m1/s1
InChIKeyOPWDCCXVGNVGKB-QDQFNNJSSA-N
XLogP7.43
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.57
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6R)-4-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)morpholin-3-one
CID 140700551
[(2S)-2-[(2R,3R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-oxomorpholin-4-yl]-2-cyclopropylethyl] methanesulfonate
CID 89490596
S-[(2S)-2-[(2R,3R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-oxomorpholin-4-yl]-2-cyclopropylethyl] ethanethioate
CID 89490606
ethyl (2R)-2-[(2R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-oxomorpholin-4-yl]-2-cyclopropylacetate;ethyl (2S)-2-[(2R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-oxomorpholin-4-yl]-2-cyclopropylacetate
CID 162193875
ethyl (2S)-2-[(2R,3S)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-oxomorpholin-4-yl]-2-cyclopropylacetate
CID 90371973
ethyl (2R)-2-[(3R)-2-(3-chlorophenyl)-3-(4-chlorophenyl)-5-oxomorpholin-4-yl]-2-cyclopropylacetate
CID 130411277
6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(1-hydroxy-3-methylbutan-2-yl)morpholin-3-one
CID 123183230
(6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-[(2R)-1-hydroxy-3-methylbutan-2-yl]morpholin-3-one
CID 90347752
(5R,6R)-6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(1-hydroxy-3-methylbutan-2-yl)morpholin-3-one
CID 89490757
(2R,5R,6R)-4-[(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)-2-methyl-2-prop-2-enylmorpholin-3-one
CID 90341468
(5R,6R)-4-(1-tert-butylsulfanyl-3-methylbutan-2-yl)-6-(3-chlorophenyl)-5-(4-chlorophenyl)morpholin-3-one
CID 90341711
6-(3-chlorophenyl)-5-(4-chlorophenyl)-4-(2-sulfanylpentan-3-yl)morpholin-3-one
CID 123959428

Frequently Asked Questions

What is the IUPAC name of (6R)-4-[2-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)morpholin-3-one?
The IUPAC name of (6R)-4-[2-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)morpholin-3-one (CID 163845594) is (6R)-4-[2-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)morpholin-3-one.
What is the SMILES notation for (6R)-4-[2-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)morpholin-3-one?
The canonical SMILES for (6R)-4-[2-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)morpholin-3-one is CC(C)(C)[Si](C)(C)OCC(C1CC1)N1C(=O)CO[C@H](c2cccc(Cl)c2)C1c1ccc(Cl)cc1.
What is the InChIKey of (6R)-4-[2-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)morpholin-3-one?
The InChIKey is OPWDCCXVGNVGKB-QDQFNNJSSA-N. The full InChI is InChI=1S/C27H35Cl2NO3Si/c1-27(2,3)34(4,5)33-16-23(18-9-10-18)30-24(31)17-32-26(20-7-6-8-22(29)15-20)25(30)19-11-13-21(28)14-12-19/h6-8,11-15,18,23,25-26H,9-10,16-17H2,1-5H3/t23?,25?,26-/m1/s1.
What are the key properties of (6R)-4-[2-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)morpholin-3-one?
(6R)-4-[2-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)morpholin-3-one has a molecular weight of 520.57 g/mol, XLogP of 7.43, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-4-[2-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)morpholin-3-one is sourced from PubChem (CID 163845594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).