4-(hydroxymethyl)-9-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-9-oxonon-2-enoic acid

C19H33NO6 — CID 76638051

IUPAC4-(hydroxymethyl)-9-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-9-oxonon-2-enoic acid
SMILESCC1(C)CC(OC(=O)CCCCC(C=CC(=O)O)CO)CC(C)(C)N1O
InChIInChI=1S/C19H33NO6/c1-18(2)11-15(12-19(3,4)20(18)25)26-17(24)8-6-5-7-14(13-21)9-10-16(22)23/h9-10,14-15,21,25H,5-8,11-13H2,1-4H3,(H,22,23)
InChIKeyINDSUUDTGHTLDC-UHFFFAOYSA-N
MW371.47 g/mol
LogP2.75
Rot. Bonds9

About 4-(hydroxymethyl)-9-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-9-oxonon-2-enoic acid

4-(hydroxymethyl)-9-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-9-oxonon-2-enoic acid (PubChem CID 76638051) has the molecular formula C19H33NO6 and a molecular weight of 371.47 g/mol. Its IUPAC name is 4-(hydroxymethyl)-9-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-9-oxonon-2-enoic acid.

Molecular Properties

Compound Name4-(hydroxymethyl)-9-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-9-oxonon-2-enoic acid
PubChem CID76638051
Molecular FormulaC19H33NO6
Molecular Weight371.47 g/mol
Exact Mass371.23
IUPAC Name4-(hydroxymethyl)-9-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-9-oxonon-2-enoic acid
SMILESCC1(C)CC(OC(=O)CCCCC(C=CC(=O)O)CO)CC(C)(C)N1O
InChIInChI=1S/C19H33NO6/c1-18(2)11-15(12-19(3,4)20(18)25)26-17(24)8-6-5-7-14(13-21)9-10-16(22)23/h9-10,14-15,21,25H,5-8,11-13H2,1-4H3,(H,22,23)
InChIKeyINDSUUDTGHTLDC-UHFFFAOYSA-N
XLogP2.75
TPSA107.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
CID 57039687
10-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-10-oxodecanoic acid
CID 66790279
(2E)-4-hydroxy-9-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxydeca-2,9-dienoic acid
CID 143812598
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
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
4-hydroxy-9-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-8-methylnon-2-enoic acid
CID 76638062
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate;bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 2-ethyldecanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;bis(2,2,6,6-tetramethylpiperidin-4-yl) 2-ethyldecanedioate
CID 159805221
bis(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl) decanedioate
CID 141285450
(2,2,6,6-tetramethylpiperidin-4-yl) 9-formylundecanoate
CID 126548120
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) tridecanedioate
CID 162454117

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-9-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-9-oxonon-2-enoic acid?
The IUPAC name of 4-(hydroxymethyl)-9-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-9-oxonon-2-enoic acid (CID 76638051) is 4-(hydroxymethyl)-9-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-9-oxonon-2-enoic acid.
What is the SMILES notation for 4-(hydroxymethyl)-9-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-9-oxonon-2-enoic acid?
The canonical SMILES for 4-(hydroxymethyl)-9-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-9-oxonon-2-enoic acid is CC1(C)CC(OC(=O)CCCCC(C=CC(=O)O)CO)CC(C)(C)N1O.
What is the InChIKey of 4-(hydroxymethyl)-9-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-9-oxonon-2-enoic acid?
The InChIKey is INDSUUDTGHTLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO6/c1-18(2)11-15(12-19(3,4)20(18)25)26-17(24)8-6-5-7-14(13-21)9-10-16(22)23/h9-10,14-15,21,25H,5-8,11-13H2,1-4H3,(H,22,23).
What are the key properties of 4-(hydroxymethyl)-9-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-9-oxonon-2-enoic acid?
4-(hydroxymethyl)-9-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-9-oxonon-2-enoic acid has a molecular weight of 371.47 g/mol, XLogP of 2.75, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-9-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-9-oxonon-2-enoic acid is sourced from PubChem (CID 76638051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).