10-O-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 1-O-methyl decanedioate

C24H45NO6 — CID 22255858

IUPAC10-O-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 1-O-methyl decanedioate
SMILESCOC(=O)CCCCCCCCC(=O)OC1CC(C)(C)N(OCC(C)(C)O)C(C)(C)C1
InChIInChI=1S/C24H45NO6/c1-22(2)16-19(17-23(3,4)25(22)30-18-24(5,6)28)31-21(27)15-13-11-9-8-10-12-14-20(26)29-7/h19,28H,8-18H2,1-7H3
InChIKeyNTGLWSXCQSEMIJ-UHFFFAOYSA-N
MW443.63 g/mol
LogP4.55
Rot. Bonds13

About 10-O-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 1-O-methyl decanedioate

10-O-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 1-O-methyl decanedioate (PubChem CID 22255858) has the molecular formula C24H45NO6 and a molecular weight of 443.63 g/mol. Its IUPAC name is 10-O-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 1-O-methyl decanedioate.

Molecular Properties

Compound Name10-O-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 1-O-methyl decanedioate
PubChem CID22255858
Molecular FormulaC24H45NO6
Molecular Weight443.63 g/mol
Exact Mass443.32
IUPAC Name10-O-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 1-O-methyl decanedioate
SMILESCOC(=O)CCCCCCCCC(=O)OC1CC(C)(C)N(OCC(C)(C)O)C(C)(C)C1
InChIInChI=1S/C24H45NO6/c1-22(2)16-19(17-23(3,4)25(22)30-18-24(5,6)28)31-21(27)15-13-11-9-8-10-12-14-20(26)29-7/h19,28H,8-18H2,1-7H3
InChIKeyNTGLWSXCQSEMIJ-UHFFFAOYSA-N
XLogP4.55
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.63
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-O-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 1-O-methyl butanedioate;6-O-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 1-O-methyl hexanedioate
CID 22743585
[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] octanoate
CID 67968303
1-O-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 6-O-[1-[2-hydroxy-2-methyl-3-[2,2,6,6-tetramethyl-4-(6-oxoheptanoyloxy)piperidin-1-yl]oxypropoxy]-2,2,6,6-tetramethylpiperidin-4-yl] hexanedioate
CID 18728785
1-O-methyl 8-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) octanedioate
CID 164740961
10-O-(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-methyl decanedioate
CID 163756463
bis(1-tert-butyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate
CID 172808816
1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-ol;[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate
CID 158735519
bis(1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate
CID 141285453
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) tridecanedioate
CID 162454117
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
CID 57039687
2-methyl-1-(2,2,6,6-tetramethyl-4-propan-2-yloxypiperidin-1-yl)oxypropan-2-ol
CID 89209157
bis(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate
CID 141285450

Frequently Asked Questions

What is the IUPAC name of 10-O-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 1-O-methyl decanedioate?
The IUPAC name of 10-O-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 1-O-methyl decanedioate (CID 22255858) is 10-O-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 1-O-methyl decanedioate.
What is the SMILES notation for 10-O-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 1-O-methyl decanedioate?
The canonical SMILES for 10-O-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 1-O-methyl decanedioate is COC(=O)CCCCCCCCC(=O)OC1CC(C)(C)N(OCC(C)(C)O)C(C)(C)C1.
What is the InChIKey of 10-O-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 1-O-methyl decanedioate?
The InChIKey is NTGLWSXCQSEMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45NO6/c1-22(2)16-19(17-23(3,4)25(22)30-18-24(5,6)28)31-21(27)15-13-11-9-8-10-12-14-20(26)29-7/h19,28H,8-18H2,1-7H3.
What are the key properties of 10-O-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 1-O-methyl decanedioate?
10-O-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 1-O-methyl decanedioate has a molecular weight of 443.63 g/mol, XLogP of 4.55, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-O-[1-(2-hydroxy-2-methylpropoxy)-2,2,6,6-tetramethylpiperidin-4-yl] 1-O-methyl decanedioate is sourced from PubChem (CID 22255858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).