(2E)-4-hydroxy-9-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxydeca-2,9-dienoic acid

C19H33NO5 — CID 143812598

IUPAC(2E)-4-hydroxy-9-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxydeca-2,9-dienoic acid
SMILESC=C(CCCCC(O)/C=C/C(=O)O)OC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C19H33NO5/c1-14(8-6-7-9-15(21)10-11-17(22)23)25-16-12-18(2,3)20(24)19(4,5)13-16/h10-11,15-16,21,24H,1,6-9,12-13H2,2-5H3,(H,22,23)/b11-10+
InChIKeyCZFADFGYOSAYCD-ZHACJKMWSA-N
MW355.48 g/mol
LogP3.49
Rot. Bonds9

About (2E)-4-hydroxy-9-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxydeca-2,9-dienoic acid

(2E)-4-hydroxy-9-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxydeca-2,9-dienoic acid (PubChem CID 143812598) has the molecular formula C19H33NO5 and a molecular weight of 355.48 g/mol. Its IUPAC name is (2E)-4-hydroxy-9-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxydeca-2,9-dienoic acid.

Molecular Properties

Compound Name(2E)-4-hydroxy-9-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxydeca-2,9-dienoic acid
PubChem CID143812598
Molecular FormulaC19H33NO5
Molecular Weight355.48 g/mol
Exact Mass355.24
IUPAC Name(2E)-4-hydroxy-9-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxydeca-2,9-dienoic acid
SMILESC=C(CCCCC(O)/C=C/C(=O)O)OC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C19H33NO5/c1-14(8-6-7-9-15(21)10-11-17(22)23)25-16-12-18(2,3)20(24)19(4,5)13-16/h10-11,15-16,21,24H,1,6-9,12-13H2,2-5H3,(H,22,23)/b11-10+
InChIKeyCZFADFGYOSAYCD-ZHACJKMWSA-N
XLogP3.49
TPSA90.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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
4-hydroxy-9-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)amino]-9-oxonon-2-enoic acid
CID 74948398
4-(hydroxymethyl)-9-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-9-oxonon-2-enoic acid
CID 76638051
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
CID 57039687
8-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methoxy]-4-methyloct-2-enoic acid
CID 76638058
10-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-10-oxodecanoic acid
CID 66790279
4-hydroxyheptacos-2-enoic acid
CID 88698148
10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) decanedioate
CID 59915332
10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-methyldecanedioate
CID 118137040
(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-methyl-4-oxobutanoate
CID 155198262
10-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(2,2,6,6-tetramethyl-1-nitrosopiperidin-4-yl) decanedioate
CID 126595053
1-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 5-O-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl) pentanedioate
CID 158347381

Frequently Asked Questions

What is the IUPAC name of (2E)-4-hydroxy-9-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxydeca-2,9-dienoic acid?
The IUPAC name of (2E)-4-hydroxy-9-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxydeca-2,9-dienoic acid (CID 143812598) is (2E)-4-hydroxy-9-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxydeca-2,9-dienoic acid.
What is the SMILES notation for (2E)-4-hydroxy-9-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxydeca-2,9-dienoic acid?
The canonical SMILES for (2E)-4-hydroxy-9-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxydeca-2,9-dienoic acid is C=C(CCCCC(O)/C=C/C(=O)O)OC1CC(C)(C)N(O)C(C)(C)C1.
What is the InChIKey of (2E)-4-hydroxy-9-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxydeca-2,9-dienoic acid?
The InChIKey is CZFADFGYOSAYCD-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H33NO5/c1-14(8-6-7-9-15(21)10-11-17(22)23)25-16-12-18(2,3)20(24)19(4,5)13-16/h10-11,15-16,21,24H,1,6-9,12-13H2,2-5H3,(H,22,23)/b11-10+.
What are the key properties of (2E)-4-hydroxy-9-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxydeca-2,9-dienoic acid?
(2E)-4-hydroxy-9-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxydeca-2,9-dienoic acid has a molecular weight of 355.48 g/mol, XLogP of 3.49, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-4-hydroxy-9-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxydeca-2,9-dienoic acid is sourced from PubChem (CID 143812598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).