2-(2,2,3,3-tetramethyl-1-octoxypiperidin-4-yl)decanedioic acid

C27H51NO5 — CID 174622052

IUPAC2-(2,2,3,3-tetramethyl-1-octoxypiperidin-4-yl)decanedioic acid
SMILESCCCCCCCCON1CCC(C(CCCCCCCC(=O)O)C(=O)O)C(C)(C)C1(C)C
InChIInChI=1S/C27H51NO5/c1-6-7-8-9-13-16-21-33-28-20-19-23(26(2,3)27(28,4)5)22(25(31)32)17-14-11-10-12-15-18-24(29)30/h22-23H,6-21H2,1-5H3,(H,29,30)(H,31,32)
InChIKeyYLTVIDRQYWPWDP-UHFFFAOYSA-N
MW469.71 g/mol
LogP6.92
Rot. Bonds18

About 2-(2,2,3,3-tetramethyl-1-octoxypiperidin-4-yl)decanedioic acid

2-(2,2,3,3-tetramethyl-1-octoxypiperidin-4-yl)decanedioic acid (PubChem CID 174622052) has the molecular formula C27H51NO5 and a molecular weight of 469.71 g/mol. Its IUPAC name is 2-(2,2,3,3-tetramethyl-1-octoxypiperidin-4-yl)decanedioic acid.

Molecular Properties

Compound Name2-(2,2,3,3-tetramethyl-1-octoxypiperidin-4-yl)decanedioic acid
PubChem CID174622052
Molecular FormulaC27H51NO5
Molecular Weight469.71 g/mol
Exact Mass469.38
IUPAC Name2-(2,2,3,3-tetramethyl-1-octoxypiperidin-4-yl)decanedioic acid
SMILESCCCCCCCCON1CCC(C(CCCCCCCC(=O)O)C(=O)O)C(C)(C)C1(C)C
InChIInChI=1S/C27H51NO5/c1-6-7-8-9-13-16-21-33-28-20-19-23(26(2,3)27(28,4)5)22(25(31)32)17-14-11-10-12-15-18-24(29)30/h22-23H,6-21H2,1-5H3,(H,29,30)(H,31,32)
InChIKeyYLTVIDRQYWPWDP-UHFFFAOYSA-N
XLogP6.92
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.71
LogP ≤ 56.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

10-oxo-9-(2,2,3,3-tetramethyl-1-pentoxypiperidin-4-yl)-10-(2,2,3,3-tetramethyl-1-pentoxypiperidin-4-yl)oxydecanoic acid
CID 175533215
15-pentoxypentadecanoic acid
CID 89280169
18-(12-hydroxyoctadecoxy)octadecanoic acid
CID 121473917
5-(2-hydroxyheptadecoxy)pentanoic acid
CID 139709374
acetic acid;dodecanoic acid;1-tetradecoxytetradecane
CID 158382459
23-pentylpentatetracontanedioic acid
CID 141048477
10-hexyloctadecanoic acid
CID 91174619
2-cyclopropylnonanoic acid
CID 139682006
2-cyclopropylhexadecanoic acid
CID 67041212
decanedioic acid;tetradecane-1,1-diol
CID 175902897
dodecanedioic acid;2-undecylpropanedioic acid
CID 160978167
dodecane-1,1-diol;hexanedioic acid
CID 160695318

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3-tetramethyl-1-octoxypiperidin-4-yl)decanedioic acid?
The IUPAC name of 2-(2,2,3,3-tetramethyl-1-octoxypiperidin-4-yl)decanedioic acid (CID 174622052) is 2-(2,2,3,3-tetramethyl-1-octoxypiperidin-4-yl)decanedioic acid.
What is the SMILES notation for 2-(2,2,3,3-tetramethyl-1-octoxypiperidin-4-yl)decanedioic acid?
The canonical SMILES for 2-(2,2,3,3-tetramethyl-1-octoxypiperidin-4-yl)decanedioic acid is CCCCCCCCON1CCC(C(CCCCCCCC(=O)O)C(=O)O)C(C)(C)C1(C)C.
What is the InChIKey of 2-(2,2,3,3-tetramethyl-1-octoxypiperidin-4-yl)decanedioic acid?
The InChIKey is YLTVIDRQYWPWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H51NO5/c1-6-7-8-9-13-16-21-33-28-20-19-23(26(2,3)27(28,4)5)22(25(31)32)17-14-11-10-12-15-18-24(29)30/h22-23H,6-21H2,1-5H3,(H,29,30)(H,31,32).
What are the key properties of 2-(2,2,3,3-tetramethyl-1-octoxypiperidin-4-yl)decanedioic acid?
2-(2,2,3,3-tetramethyl-1-octoxypiperidin-4-yl)decanedioic acid has a molecular weight of 469.71 g/mol, XLogP of 6.92, 18 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,3,3-tetramethyl-1-octoxypiperidin-4-yl)decanedioic acid is sourced from PubChem (CID 174622052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).