4-hydroxy-9-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-8-methylnon-2-enoic acid

C19H35NO5 — CID 76638062

IUPAC4-hydroxy-9-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-8-methylnon-2-enoic acid
SMILESCC(CCCC(O)C=CC(=O)O)COC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C19H35NO5/c1-14(7-6-8-15(21)9-10-17(22)23)13-25-16-11-18(2,3)20(24)19(4,5)12-16/h9-10,14-16,21,24H,6-8,11-13H2,1-5H3,(H,22,23)
InChIKeyVJFMMMBOHSVPJG-UHFFFAOYSA-N
MW357.49 g/mol
LogP3.22
Rot. Bonds9

About 4-hydroxy-9-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-8-methylnon-2-enoic acid

4-hydroxy-9-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-8-methylnon-2-enoic acid (PubChem CID 76638062) has the molecular formula C19H35NO5 and a molecular weight of 357.49 g/mol. Its IUPAC name is 4-hydroxy-9-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-8-methylnon-2-enoic acid.

Molecular Properties

Compound Name4-hydroxy-9-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-8-methylnon-2-enoic acid
PubChem CID76638062
Molecular FormulaC19H35NO5
Molecular Weight357.49 g/mol
Exact Mass357.25
IUPAC Name4-hydroxy-9-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-8-methylnon-2-enoic acid
SMILESCC(CCCC(O)C=CC(=O)O)COC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C19H35NO5/c1-14(7-6-8-15(21)9-10-17(22)23)13-25-16-11-18(2,3)20(24)19(4,5)12-16/h9-10,14-16,21,24H,6-8,11-13H2,1-5H3,(H,22,23)
InChIKeyVJFMMMBOHSVPJG-UHFFFAOYSA-N
XLogP3.22
TPSA90.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.49
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2E)-4-hydroxy-9-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxydeca-2,9-dienoic acid
CID 143812598
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
8-[(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)methoxy]-4-methyloct-2-enoic acid
CID 76638058
1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypentane-2,4-diol
CID 156778673
(2R)-1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-3-methoxypropan-2-ol
CID 139944892
4-hydroxyheptacos-2-enoic acid
CID 88698148
1-hydroxy-4-[3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropoxy]-2,2,6,6-tetramethylpiperidine
CID 118137024
[2-hydroxy-3-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypropyl]-dimethyl-propylazanium
CID 70161005
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
CID 57039687
4-ethoxy-1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 18371974
2-[2-[2-[2-[2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-iodopropanoate
CID 163668551

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-9-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-8-methylnon-2-enoic acid?
The IUPAC name of 4-hydroxy-9-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-8-methylnon-2-enoic acid (CID 76638062) is 4-hydroxy-9-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-8-methylnon-2-enoic acid.
What is the SMILES notation for 4-hydroxy-9-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-8-methylnon-2-enoic acid?
The canonical SMILES for 4-hydroxy-9-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-8-methylnon-2-enoic acid is CC(CCCC(O)C=CC(=O)O)COC1CC(C)(C)N(O)C(C)(C)C1.
What is the InChIKey of 4-hydroxy-9-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-8-methylnon-2-enoic acid?
The InChIKey is VJFMMMBOHSVPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO5/c1-14(7-6-8-15(21)9-10-17(22)23)13-25-16-11-18(2,3)20(24)19(4,5)12-16/h9-10,14-16,21,24H,6-8,11-13H2,1-5H3,(H,22,23).
What are the key properties of 4-hydroxy-9-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-8-methylnon-2-enoic acid?
4-hydroxy-9-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-8-methylnon-2-enoic acid has a molecular weight of 357.49 g/mol, XLogP of 3.22, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-9-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-8-methylnon-2-enoic acid is sourced from PubChem (CID 76638062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).