bis(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl) 4-butan-2-yl-2,2,5,6,8,8-hexamethylnonanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) 4-butan-2-yl-2,2,5,6,8,8-hexamethylnonanedioate;2,3-dimethylpentane;(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylprop-2-enoate

C94H177Cl2N5O10 — CID 159558357

IUPACbis(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl) 4-butan-2-yl-2,2,5,6,8,8-hexamethylnonanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) 4-butan-2-yl-2,2,5,6,8,8-hexamethylnonanedioate;2,3-dimethylpentane;(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CC(C)(C)NC(C)(C)C1.CCC(C)C(C)C.CCC(C)C(CC(C)(C)C(=O)OC1CC(C)(C)N(Cl)C(C)(C)C1)C(C)C(C)CC(C)(C)C(=O)OC1CC(C)(C)N(Cl)C(C)(C)C1.CCC(C)C(CC(C)(C)C(=O)OC1CC(C)(C)NC(C)(C)C1)C(C)C(C)CC(C)(C)C(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C37H68Cl2N2O4.C37H70N2O4.C13H23NO2.C7H16/c1-17-24(2)29(23-33(7,8)31(43)45-28-21-36(13,14)41(39)37(15,16)22-28)26(4)25(3)18-32(5,6)30(42)44-27-19-34(9,10)40(38)35(11,12)20-27;1-17-24(2)29(23-33(7,8)31(41)43-28-21-36(13,14)39-37(15,16)22-28)26(4)25(3)18-32(5,6)30(40)42-27-19-34(9,10)38-35(11,12)20-27;1-9(2)11(15)16-10-7-12(3,4)14-13(5,6)8-10;1-5-7(4)6(2)3/h24-29H,17-23H2,1-16H3;24-29,38-39H,17-23H2,1-16H3;10,14H,1,7-8H2,2-6H3;6-7H,5H2,1-4H3
InChIKeyMGGYSWTUVCBTIY-UHFFFAOYSA-N
MW1608.38 g/mol
LogP23.75
Rot. Bonds28

About bis(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl) 4-butan-2-yl-2,2,5,6,8,8-hexamethylnonanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) 4-butan-2-yl-2,2,5,6,8,8-hexamethylnonanedioate;2,3-dimethylpentane;(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylprop-2-enoate

bis(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl) 4-butan-2-yl-2,2,5,6,8,8-hexamethylnonanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) 4-butan-2-yl-2,2,5,6,8,8-hexamethylnonanedioate;2,3-dimethylpentane;(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylprop-2-enoate (PubChem CID 159558357) has the molecular formula C94H177Cl2N5O10 and a molecular weight of 1608.38 g/mol. Its IUPAC name is bis(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl) 4-butan-2-yl-2,2,5,6,8,8-hexamethylnonanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) 4-butan-2-yl-2,2,5,6,8,8-hexamethylnonanedioate;2,3-dimethylpentane;(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Namebis(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl) 4-butan-2-yl-2,2,5,6,8,8-hexamethylnonanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) 4-butan-2-yl-2,2,5,6,8,8-hexamethylnonanedioate;2,3-dimethylpentane;(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylprop-2-enoate
PubChem CID159558357
Molecular FormulaC94H177Cl2N5O10
Molecular Weight1608.38 g/mol
Exact Mass1606.29
IUPAC Namebis(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl) 4-butan-2-yl-2,2,5,6,8,8-hexamethylnonanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) 4-butan-2-yl-2,2,5,6,8,8-hexamethylnonanedioate;2,3-dimethylpentane;(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CC(C)(C)NC(C)(C)C1.CCC(C)C(C)C.CCC(C)C(CC(C)(C)C(=O)OC1CC(C)(C)N(Cl)C(C)(C)C1)C(C)C(C)CC(C)(C)C(=O)OC1CC(C)(C)N(Cl)C(C)(C)C1.CCC(C)C(CC(C)(C)C(=O)OC1CC(C)(C)NC(C)(C)C1)C(C)C(C)CC(C)(C)C(=O)OC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C37H68Cl2N2O4.C37H70N2O4.C13H23NO2.C7H16/c1-17-24(2)29(23-33(7,8)31(43)45-28-21-36(13,14)41(39)37(15,16)22-28)26(4)25(3)18-32(5,6)30(42)44-27-19-34(9,10)40(38)35(11,12)20-27;1-17-24(2)29(23-33(7,8)31(41)43-28-21-36(13,14)39-37(15,16)22-28)26(4)25(3)18-32(5,6)30(40)42-27-19-34(9,10)38-35(11,12)20-27;1-9(2)11(15)16-10-7-12(3,4)14-13(5,6)8-10;1-5-7(4)6(2)3/h24-29H,17-23H2,1-16H3;24-29,38-39H,17-23H2,1-16H3;10,14H,1,7-8H2,2-6H3;6-7H,5H2,1-4H3
InChIKeyMGGYSWTUVCBTIY-UHFFFAOYSA-N
XLogP23.75
TPSA174.07 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds28
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001608.38
LogP ≤ 523.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze bis(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl) 4-butan-2-yl-2,2,5,6,8,8-hexamethylnonanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) 4-butan-2-yl-2,2,5,6,8,8-hexamethylnonanedioate;2,3-dimethylpentane;(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylprop-2-enoate with MolForge

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Related Compounds

bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,2-dimethylpropanedioate
CID 139985901
2-methylpropane;(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-methylprop-2-enoate;(2,2,6,6-tetramethylpiperidin-4-yl) 3,7-dimethylbicyclo[3.3.1]nonane-1-carboxylate
CID 145333542
2,4-dimethyl-4-(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylhexanoic acid
CID 153297334
tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) butane-1,1,1,2-tetracarboxylate
CID 54136975
bis(2,2,6,6-tetramethylpiperidin-4-yl) 2,4-diethyl-2,4-dimethylpentanedioate
CID 145333560
(1,2,2-trimethyl-6-methylidenepiperidin-4-yl) 2-methylprop-2-enoate
CID 89042777
tetrakis(2,2,6,6-tetramethylpiperidin-4-yl) ethene-1,1,2,2-tetracarboxylate
CID 22761497
bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylidenebutanedioate
CID 21134251
(1,1,2,2,6,6-hexamethylpiperidin-1-ium-4-yl) 2-methylprop-2-enoate
CID 134380283
2-methylprop-2-enoyl chloride;2,2,6,6-tetramethyl-1-propoxypiperidin-4-ol;(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl) 2-methylprop-2-enoate
CID 158484355
2-[2,2-dimethyl-3-oxo-3-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-4-(2-oxopyrrolidin-1-yl)hexanoic acid;3-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenoxy]propyl 2-methylprop-2-enoate
CID 54535657
2,2-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)butanamide
CID 59345639

Frequently Asked Questions

What is the IUPAC name of bis(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl) 4-butan-2-yl-2,2,5,6,8,8-hexamethylnonanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) 4-butan-2-yl-2,2,5,6,8,8-hexamethylnonanedioate;2,3-dimethylpentane;(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylprop-2-enoate?
The IUPAC name of bis(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl) 4-butan-2-yl-2,2,5,6,8,8-hexamethylnonanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) 4-butan-2-yl-2,2,5,6,8,8-hexamethylnonanedioate;2,3-dimethylpentane;(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylprop-2-enoate (CID 159558357) is bis(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl) 4-butan-2-yl-2,2,5,6,8,8-hexamethylnonanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) 4-butan-2-yl-2,2,5,6,8,8-hexamethylnonanedioate;2,3-dimethylpentane;(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylprop-2-enoate.
What is the SMILES notation for bis(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl) 4-butan-2-yl-2,2,5,6,8,8-hexamethylnonanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) 4-butan-2-yl-2,2,5,6,8,8-hexamethylnonanedioate;2,3-dimethylpentane;(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylprop-2-enoate?
The canonical SMILES for bis(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl) 4-butan-2-yl-2,2,5,6,8,8-hexamethylnonanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) 4-butan-2-yl-2,2,5,6,8,8-hexamethylnonanedioate;2,3-dimethylpentane;(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1CC(C)(C)NC(C)(C)C1.CCC(C)C(C)C.CCC(C)C(CC(C)(C)C(=O)OC1CC(C)(C)N(Cl)C(C)(C)C1)C(C)C(C)CC(C)(C)C(=O)OC1CC(C)(C)N(Cl)C(C)(C)C1.CCC(C)C(CC(C)(C)C(=O)OC1CC(C)(C)NC(C)(C)C1)C(C)C(C)CC(C)(C)C(=O)OC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of bis(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl) 4-butan-2-yl-2,2,5,6,8,8-hexamethylnonanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) 4-butan-2-yl-2,2,5,6,8,8-hexamethylnonanedioate;2,3-dimethylpentane;(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylprop-2-enoate?
The InChIKey is MGGYSWTUVCBTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H68Cl2N2O4.C37H70N2O4.C13H23NO2.C7H16/c1-17-24(2)29(23-33(7,8)31(43)45-28-21-36(13,14)41(39)37(15,16)22-28)26(4)25(3)18-32(5,6)30(42)44-27-19-34(9,10)40(38)35(11,12)20-27;1-17-24(2)29(23-33(7,8)31(41)43-28-21-36(13,14)39-37(15,16)22-28)26(4)25(3)18-32(5,6)30(40)42-27-19-34(9,10)38-35(11,12)20-27;1-9(2)11(15)16-10-7-12(3,4)14-13(5,6)8-10;1-5-7(4)6(2)3/h24-29H,17-23H2,1-16H3;24-29,38-39H,17-23H2,1-16H3;10,14H,1,7-8H2,2-6H3;6-7H,5H2,1-4H3.
What are the key properties of bis(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl) 4-butan-2-yl-2,2,5,6,8,8-hexamethylnonanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) 4-butan-2-yl-2,2,5,6,8,8-hexamethylnonanedioate;2,3-dimethylpentane;(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylprop-2-enoate?
bis(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl) 4-butan-2-yl-2,2,5,6,8,8-hexamethylnonanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) 4-butan-2-yl-2,2,5,6,8,8-hexamethylnonanedioate;2,3-dimethylpentane;(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylprop-2-enoate has a molecular weight of 1608.38 g/mol, XLogP of 23.75, 28 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl) 4-butan-2-yl-2,2,5,6,8,8-hexamethylnonanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) 4-butan-2-yl-2,2,5,6,8,8-hexamethylnonanedioate;2,3-dimethylpentane;(2,2,6,6-tetramethylpiperidin-4-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 159558357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).