bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) decanedioate

C44H84N2O6 — CID 3592789

IUPACbis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) decanedioate
SMILESCCCCCCCCON1C(C)(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(OCCCCCCCC)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C44H84N2O6/c1-11-13-15-17-23-27-31-49-45-41(3,4)33-37(34-42(45,5)6)51-39(47)29-25-21-19-20-22-26-30-40(48)52-38-35-43(7,8)46(44(9,10)36-38)50-32-28-24-18-16-14-12-2/h37-38H,11-36H2,1-10H3
InChIKeyOSIVCXJNIBEGCL-UHFFFAOYSA-N
MW737.16 g/mol
LogP11.82
Rot. Bonds27

About bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) decanedioate

bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) decanedioate (PubChem CID 3592789) has the molecular formula C44H84N2O6 and a molecular weight of 737.16 g/mol. Its IUPAC name is bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) decanedioate.

Molecular Properties

Compound Namebis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) decanedioate
PubChem CID3592789
Molecular FormulaC44H84N2O6
Molecular Weight737.16 g/mol
Exact Mass736.63
IUPAC Namebis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) decanedioate
SMILESCCCCCCCCON1C(C)(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(OCCCCCCCC)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C44H84N2O6/c1-11-13-15-17-23-27-31-49-45-41(3,4)33-37(34-42(45,5)6)51-39(47)29-25-21-19-20-22-26-30-40(48)52-38-35-43(7,8)46(44(9,10)36-38)50-32-28-24-18-16-14-12-2/h37-38H,11-36H2,1-10H3
InChIKeyOSIVCXJNIBEGCL-UHFFFAOYSA-N
XLogP11.82
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds27
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.16
LogP ≤ 511.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

Tinuvin 770
CID 164282
Bis(1,2,2,6,6-pentamethyl-4-piperidyl) sebacate
CID 586744
1-Piperidinyloxy, 4,4'-((1,10-dioxo-1,10-decanediyl)bis(oxy))bis(2,2,6,6-tetramethyl-
CID 6451408
Bis(1-hydroxy-2,2,6,6-tetramethyl-4-piperidinyl)decandioate
CID 11272241
1-(2-Hydroxy-2-methylpropoxy)-4-octadecanoyloxy-2,2,6,6-tetramethylpiperidine
CID 21885088
Decanedioic acid, 1,10-bis(1,2,2,6,6-pentamethyl-4-piperidinyl) ester, mixt. with 1-methyl 10-(1,2,2,6,6-pentamethyl-4-piperidinyl) decanedioate
CID 71306753
2,2,6,6-Tetramethyl-4-capryloyl-oxypiperidine-1-oxyl
CID 152451
Bis-(2,2,6,6-tetramethyl-piperidyl) sebacate
CID 15752114
Octadecanoic acid, 1-hydroxy-2,2,6,6-tetramethyl-4-piperidinyl ester
CID 580171
(1-Hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) octanoate
CID 3826581
Bis(1-chloro-2,2,6,6-tetramethylpiperidin-4-YL) decanedioate
CID 14241397
Bis(1-methoxy-2,2,6,6-tetramethylpiperidin-4-yl) sebacate
CID 18716454

Frequently Asked Questions

What is the IUPAC name of bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) decanedioate?
The IUPAC name of bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) decanedioate (CID 3592789) is bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) decanedioate.
What is the SMILES notation for bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) decanedioate?
The canonical SMILES for bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) decanedioate is CCCCCCCCON1C(C)(C)CC(OC(=O)CCCCCCCCC(=O)OC2CC(C)(C)N(OCCCCCCCC)C(C)(C)C2)CC1(C)C.
What is the InChIKey of bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) decanedioate?
The InChIKey is OSIVCXJNIBEGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H84N2O6/c1-11-13-15-17-23-27-31-49-45-41(3,4)33-37(34-42(45,5)6)51-39(47)29-25-21-19-20-22-26-30-40(48)52-38-35-43(7,8)46(44(9,10)36-38)50-32-28-24-18-16-14-12-2/h37-38H,11-36H2,1-10H3.
What are the key properties of bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) decanedioate?
bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) decanedioate has a molecular weight of 737.16 g/mol, XLogP of 11.82, 27 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) decanedioate is sourced from PubChem (CID 3592789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).