8-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methoxy]-4-methyloct-2-enoic acid

C19H35NO4 — CID 76638058

IUPAC8-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methoxy]-4-methyloct-2-enoic acid
SMILESCC(C=CC(=O)O)CCCCOCC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C19H35NO4/c1-15(9-10-17(21)22)8-6-7-11-24-14-16-12-18(2,3)20(23)19(4,5)13-16/h9-10,15-16,23H,6-8,11-14H2,1-5H3,(H,21,22)
InChIKeyYRAZEGCGOFDADK-UHFFFAOYSA-N
MW341.49 g/mol
LogP4.11
Rot. Bonds9

About 8-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methoxy]-4-methyloct-2-enoic acid

8-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methoxy]-4-methyloct-2-enoic acid (PubChem CID 76638058) has the molecular formula C19H35NO4 and a molecular weight of 341.49 g/mol. Its IUPAC name is 8-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methoxy]-4-methyloct-2-enoic acid.

Molecular Properties

Compound Name8-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methoxy]-4-methyloct-2-enoic acid
PubChem CID76638058
Molecular FormulaC19H35NO4
Molecular Weight341.49 g/mol
Exact Mass341.26
IUPAC Name8-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methoxy]-4-methyloct-2-enoic acid
SMILESCC(C=CC(=O)O)CCCCOCC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C19H35NO4/c1-15(9-10-17(21)22)8-6-7-11-24-14-16-12-18(2,3)20(23)19(4,5)13-16/h9-10,15-16,23H,6-8,11-14H2,1-5H3,(H,21,22)
InChIKeyYRAZEGCGOFDADK-UHFFFAOYSA-N
XLogP4.11
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.49
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-9-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-8-methylnon-2-enoic acid
CID 76638062
(2E)-4-hydroxy-9-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxydeca-2,9-dienoic acid
CID 143812598
4-(hydroxymethyl)-9-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-9-oxonon-2-enoic acid
CID 76638051
(E)-4-methyltetradec-2-enoic acid
CID 173352049
(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-methyl-4-oxobutanoate
CID 155198262
4-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methoxy]-4-oxobutanoic acid
CID 151524547
2-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)ethoxy]-2-oxoacetic acid
CID 151971487
2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 66687478
1-hydroxy-4-[2-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methylperoxy]ethylperoxy]-2,2,6,6-tetramethylpiperidine
CID 22892218
4-methyl-5-[2-(2-propoxyethoxy)ethoxy]pent-2-enoic acid
CID 91252711
6-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyoctyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate
CID 140895409
1-hydroxy-2,2,7,7-tetramethylazepane-4-carboxylic acid
CID 18522538

Frequently Asked Questions

What is the IUPAC name of 8-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methoxy]-4-methyloct-2-enoic acid?
The IUPAC name of 8-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methoxy]-4-methyloct-2-enoic acid (CID 76638058) is 8-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methoxy]-4-methyloct-2-enoic acid.
What is the SMILES notation for 8-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methoxy]-4-methyloct-2-enoic acid?
The canonical SMILES for 8-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methoxy]-4-methyloct-2-enoic acid is CC(C=CC(=O)O)CCCCOCC1CC(C)(C)N(O)C(C)(C)C1.
What is the InChIKey of 8-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methoxy]-4-methyloct-2-enoic acid?
The InChIKey is YRAZEGCGOFDADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO4/c1-15(9-10-17(21)22)8-6-7-11-24-14-16-12-18(2,3)20(23)19(4,5)13-16/h9-10,15-16,23H,6-8,11-14H2,1-5H3,(H,21,22).
What are the key properties of 8-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methoxy]-4-methyloct-2-enoic acid?
8-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methoxy]-4-methyloct-2-enoic acid has a molecular weight of 341.49 g/mol, XLogP of 4.11, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methoxy]-4-methyloct-2-enoic acid is sourced from PubChem (CID 76638058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).