4-O-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl] 1-O-methyl butanedioate;1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 10-O-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) decanedioate

C53H99N3O10 — CID 123159299

IUPAC4-O-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl] 1-O-methyl butanedioate;1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 10-O-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) decanedioate
SMILESCCCCCCCCON1C(C)(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C.COC(=O)CCC(=O)OCCN1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C37H70N2O5.C16H29NO5/c1-11-12-13-14-19-22-25-42-39-36(6,7)28-31(29-37(39,8)9)44-33(41)24-21-18-16-15-17-20-23-32(40)43-30-26-34(2,3)38(10)35(4,5)27-30;1-15(2)10-12(18)11-16(3,4)17(15)8-9-22-14(20)7-6-13(19)21-5/h30-31H,11-29H2,1-10H3;12,18H,6-11H2,1-5H3
InChIKeyQOXVOLPXNJTOLK-UHFFFAOYSA-N
MW938.39 g/mol
LogP10.66
Rot. Bonds25

About 4-O-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl] 1-O-methyl butanedioate;1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 10-O-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) decanedioate

4-O-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl] 1-O-methyl butanedioate;1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 10-O-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) decanedioate (PubChem CID 123159299) has the molecular formula C53H99N3O10 and a molecular weight of 938.39 g/mol. Its IUPAC name is 4-O-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl] 1-O-methyl butanedioate;1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 10-O-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) decanedioate.

Molecular Properties

Compound Name4-O-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl] 1-O-methyl butanedioate;1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 10-O-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) decanedioate
PubChem CID123159299
Molecular FormulaC53H99N3O10
Molecular Weight938.39 g/mol
Exact Mass937.73
IUPAC Name4-O-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl] 1-O-methyl butanedioate;1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 10-O-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) decanedioate
SMILESCCCCCCCCON1C(C)(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C.COC(=O)CCC(=O)OCCN1C(C)(C)CC(O)CC1(C)C
InChIInChI=1S/C37H70N2O5.C16H29NO5/c1-11-12-13-14-19-22-25-42-39-36(6,7)28-31(29-37(39,8)9)44-33(41)24-21-18-16-15-17-20-23-32(40)43-30-26-34(2,3)38(10)35(4,5)27-30;1-15(2)10-12(18)11-16(3,4)17(15)8-9-22-14(20)7-6-13(19)21-5/h30-31H,11-29H2,1-10H3;12,18H,6-11H2,1-5H3
InChIKeyQOXVOLPXNJTOLK-UHFFFAOYSA-N
XLogP10.66
TPSA144.38 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds25
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500938.39
LogP ≤ 510.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-O-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl] 1-O-methyl butanedioate;1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 10-O-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) decanedioate with MolForge

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Related Compounds

(1,2,2,6,6-pentamethylpiperidin-4-yl) (2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl) carbonate
CID 58112264
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate;2-(4-methoxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl 4-oxopentanoate
CID 91484074
4-O-(1-decoxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate
CID 156550746
4-oxo-4-(2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl)oxybutanoic acid
CID 155213134
1-O-methyl 8-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) octanedioate
CID 164740961
bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) propanedioate;methane
CID 159199816
10-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 1-O-(2,2,6,6-tetramethyl-1-octoxypiperidin-3-yl) decanedioate
CID 90713929
2,2,6,6-tetramethyl-1-octoxypiperidin-4-ol
CID 11346683
2,2,6,6-tetramethyl-1-undecoxypiperidin-4-ol
CID 23159798
ethane;1-hexoxy-2,2,6,6-tetramethylpiperidin-4-ol
CID 143602726
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) tridecanedioate
CID 162454117
10-O-(1-hexyl-2,2,5,5-tetramethylpyrrolidin-3-yl) 1-O-(2,2,7,7-tetramethyl-1-octoxyazepan-4-yl) decanedioate
CID 122414841

Frequently Asked Questions

What is the IUPAC name of 4-O-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl] 1-O-methyl butanedioate;1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 10-O-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) decanedioate?
The IUPAC name of 4-O-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl] 1-O-methyl butanedioate;1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 10-O-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) decanedioate (CID 123159299) is 4-O-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl] 1-O-methyl butanedioate;1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 10-O-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) decanedioate.
What is the SMILES notation for 4-O-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl] 1-O-methyl butanedioate;1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 10-O-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) decanedioate?
The canonical SMILES for 4-O-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl] 1-O-methyl butanedioate;1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 10-O-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) decanedioate is CCCCCCCCON1C(C)(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C.COC(=O)CCC(=O)OCCN1C(C)(C)CC(O)CC1(C)C.
What is the InChIKey of 4-O-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl] 1-O-methyl butanedioate;1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 10-O-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) decanedioate?
The InChIKey is QOXVOLPXNJTOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H70N2O5.C16H29NO5/c1-11-12-13-14-19-22-25-42-39-36(6,7)28-31(29-37(39,8)9)44-33(41)24-21-18-16-15-17-20-23-32(40)43-30-26-34(2,3)38(10)35(4,5)27-30;1-15(2)10-12(18)11-16(3,4)17(15)8-9-22-14(20)7-6-13(19)21-5/h30-31H,11-29H2,1-10H3;12,18H,6-11H2,1-5H3.
What are the key properties of 4-O-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl] 1-O-methyl butanedioate;1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 10-O-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) decanedioate?
4-O-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl] 1-O-methyl butanedioate;1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 10-O-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) decanedioate has a molecular weight of 938.39 g/mol, XLogP of 10.66, 25 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-[2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)ethyl] 1-O-methyl butanedioate;1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 10-O-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) decanedioate is sourced from PubChem (CID 123159299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).