acetic acid;1-hydroxy-1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypentan-3-one

C16H31NO6 — CID 175254714

IUPACacetic acid;1-hydroxy-1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypentan-3-one
SMILESCC(=O)O.CCC(=O)CC(O)OC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C14H27NO4.C2H4O2/c1-6-10(16)7-12(17)19-11-8-13(2,3)15(18)14(4,5)9-11;1-2(3)4/h11-12,17-18H,6-9H2,1-5H3;1H3,(H,3,4)
InChIKeyAZXSDKPESOBVFO-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.19
Rot. Bonds5

About acetic acid;1-hydroxy-1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypentan-3-one

acetic acid;1-hydroxy-1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypentan-3-one (PubChem CID 175254714) has the molecular formula C16H31NO6 and a molecular weight of 333.43 g/mol. Its IUPAC name is acetic acid;1-hydroxy-1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypentan-3-one.

Molecular Properties

Compound Nameacetic acid;1-hydroxy-1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypentan-3-one
PubChem CID175254714
Molecular FormulaC16H31NO6
Molecular Weight333.43 g/mol
Exact Mass333.22
IUPAC Nameacetic acid;1-hydroxy-1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypentan-3-one
SMILESCC(=O)O.CCC(=O)CC(O)OC1CC(C)(C)N(O)C(C)(C)C1
InChIInChI=1S/C14H27NO4.C2H4O2/c1-6-10(16)7-12(17)19-11-8-13(2,3)15(18)14(4,5)9-11;1-2(3)4/h11-12,17-18H,6-9H2,1-5H3;1H3,(H,3,4)
InChIKeyAZXSDKPESOBVFO-UHFFFAOYSA-N
XLogP2.19
TPSA107.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-hydroxy-1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypentan-3-one
CID 175254715
CID 58670470
CID 58670470
(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 3-methyl-4-oxobutanoate
CID 155198262
4-ethoxy-1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 18371974
bis(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) hexanedioate
CID 57039687
bis(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-[2-hydroxy-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxyethyl]propanedioate
CID 129281730
10-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-10-oxodecanoic acid
CID 66790279
2-ethyl-1-hydroxy-2,6,6-trimethyl-4-(3-methylbutan-2-yloxy)piperidine
CID 91027819
1-(2,2,6,6-tetramethylpiperidin-4-yl)oxypropan-1-ol
CID 141097112
4-O-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1,2,2,6,6-pentamethylpiperidin-4-yl) 2-ethylbutanedioate
CID 118137042
4-hydroxy-9-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxy-8-methylnon-2-enoic acid
CID 76638062
tris(1,2,2,6,6-pentamethylpiperidin-4-yl) 5-hydroxy-5-(1,2,2,6,6-pentamethylpiperidin-4-yl)oxypentane-1,2,3-tricarboxylate
CID 126536363

Frequently Asked Questions

What is the IUPAC name of acetic acid;1-hydroxy-1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypentan-3-one?
The IUPAC name of acetic acid;1-hydroxy-1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypentan-3-one (CID 175254714) is acetic acid;1-hydroxy-1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypentan-3-one.
What is the SMILES notation for acetic acid;1-hydroxy-1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypentan-3-one?
The canonical SMILES for acetic acid;1-hydroxy-1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypentan-3-one is CC(=O)O.CCC(=O)CC(O)OC1CC(C)(C)N(O)C(C)(C)C1.
What is the InChIKey of acetic acid;1-hydroxy-1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypentan-3-one?
The InChIKey is AZXSDKPESOBVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4.C2H4O2/c1-6-10(16)7-12(17)19-11-8-13(2,3)15(18)14(4,5)9-11;1-2(3)4/h11-12,17-18H,6-9H2,1-5H3;1H3,(H,3,4).
What are the key properties of acetic acid;1-hydroxy-1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypentan-3-one?
acetic acid;1-hydroxy-1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypentan-3-one has a molecular weight of 333.43 g/mol, XLogP of 2.19, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-hydroxy-1-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)oxypentan-3-one is sourced from PubChem (CID 175254714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).