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

C44H86N2O4 — CID 157140421

IUPAC2,2-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)decanoic acid
SMILESCCCCCCCCON1C(C)(C)CC(C(CCCCCCCC)(C(=O)O)C2CC(C)(C)N(OCCCCCCCC)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C44H86N2O4/c1-12-15-18-21-24-27-30-44(39(47)48,37-33-40(4,5)45(41(6,7)34-37)49-31-28-25-22-19-16-13-2)38-35-42(8,9)46(43(10,11)36-38)50-32-29-26-23-20-17-14-3/h37-38H,12-36H2,1-11H3,(H,47,48)
InChIKeyAKCXLRMCCOZXOD-UHFFFAOYSA-N
MW707.18 g/mol
LogP12.93
Rot. Bonds26

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

2,2-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)decanoic acid (PubChem CID 157140421) has the molecular formula C44H86N2O4 and a molecular weight of 707.18 g/mol. Its IUPAC name is 2,2-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)decanoic acid.

Molecular Properties

Compound Name2,2-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)decanoic acid
PubChem CID157140421
Molecular FormulaC44H86N2O4
Molecular Weight707.18 g/mol
Exact Mass706.66
IUPAC Name2,2-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)decanoic acid
SMILESCCCCCCCCON1C(C)(C)CC(C(CCCCCCCC)(C(=O)O)C2CC(C)(C)N(OCCCCCCCC)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C44H86N2O4/c1-12-15-18-21-24-27-30-44(39(47)48,37-33-40(4,5)45(41(6,7)34-37)49-31-28-25-22-19-16-13-2)38-35-42(8,9)46(43(10,11)36-38)50-32-29-26-23-20-17-14-3/h37-38H,12-36H2,1-11H3,(H,47,48)
InChIKeyAKCXLRMCCOZXOD-UHFFFAOYSA-N
XLogP12.93
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds26
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.18
LogP ≤ 512.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,2-bis(2,2,6,6-tetramethyl-1-nonoxypiperidin-4-yl)decanedioate
CID 18533682
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
(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl) 2-hydroxy-2-methyloctadecanoate
CID 67544387
bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) propanedioate;methane
CID 159199816
4-oxo-4-(2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl)oxybutanoic acid
CID 155213134
(1,2,2,6,6-pentamethylpiperidin-4-yl) (2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl) carbonate
CID 58112264
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
bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) benzene-1,2-dicarboxylate
CID 151973385
2,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decanedioic acid;dodecyl 3-(3-dodecoxy-3-oxopropyl)sulfanylpropanoate
CID 88746515
4-hydroxy-N-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butanamide
CID 139642514

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)decanoic acid?
The IUPAC name of 2,2-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)decanoic acid (CID 157140421) is 2,2-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)decanoic acid.
What is the SMILES notation for 2,2-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)decanoic acid?
The canonical SMILES for 2,2-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)decanoic acid is CCCCCCCCON1C(C)(C)CC(C(CCCCCCCC)(C(=O)O)C2CC(C)(C)N(OCCCCCCCC)C(C)(C)C2)CC1(C)C.
What is the InChIKey of 2,2-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)decanoic acid?
The InChIKey is AKCXLRMCCOZXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H86N2O4/c1-12-15-18-21-24-27-30-44(39(47)48,37-33-40(4,5)45(41(6,7)34-37)49-31-28-25-22-19-16-13-2)38-35-42(8,9)46(43(10,11)36-38)50-32-29-26-23-20-17-14-3/h37-38H,12-36H2,1-11H3,(H,47,48).
What are the key properties of 2,2-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)decanoic acid?
2,2-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)decanoic acid has a molecular weight of 707.18 g/mol, XLogP of 12.93, 26 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)decanoic acid is sourced from PubChem (CID 157140421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).