butane-1,2,3,4-tetracarboxylic acid;2,2,6,6-tetramethylpiperidin-4-ol;tridecan-1-ol

C30H57NO10 — CID 68630296

IUPACbutane-1,2,3,4-tetracarboxylic acid;2,2,6,6-tetramethylpiperidin-4-ol;tridecan-1-ol
SMILESCC1(C)CC(O)CC(C)(C)N1.CCCCCCCCCCCCCO.O=C(O)CC(C(=O)O)C(CC(=O)O)C(=O)O
InChIInChI=1S/C13H28O.C9H19NO.C8H10O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14;1-8(2)5-7(11)6-9(3,4)10-8;9-5(10)1-3(7(13)14)4(8(15)16)2-6(11)12/h14H,2-13H2,1H3;7,10-11H,5-6H2,1-4H3;3-4H,1-2H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16)
InChIKeyQYXWRPIUJXAUSI-UHFFFAOYSA-N
MW591.78 g/mol
LogP4.91
Rot. Bonds18

About butane-1,2,3,4-tetracarboxylic acid;2,2,6,6-tetramethylpiperidin-4-ol;tridecan-1-ol

butane-1,2,3,4-tetracarboxylic acid;2,2,6,6-tetramethylpiperidin-4-ol;tridecan-1-ol (PubChem CID 68630296) has the molecular formula C30H57NO10 and a molecular weight of 591.78 g/mol. Its IUPAC name is butane-1,2,3,4-tetracarboxylic acid;2,2,6,6-tetramethylpiperidin-4-ol;tridecan-1-ol.

Molecular Properties

Compound Namebutane-1,2,3,4-tetracarboxylic acid;2,2,6,6-tetramethylpiperidin-4-ol;tridecan-1-ol
PubChem CID68630296
Molecular FormulaC30H57NO10
Molecular Weight591.78 g/mol
Exact Mass591.40
IUPAC Namebutane-1,2,3,4-tetracarboxylic acid;2,2,6,6-tetramethylpiperidin-4-ol;tridecan-1-ol
SMILESCC1(C)CC(O)CC(C)(C)N1.CCCCCCCCCCCCCO.O=C(O)CC(C(=O)O)C(CC(=O)O)C(=O)O
InChIInChI=1S/C13H28O.C9H19NO.C8H10O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14;1-8(2)5-7(11)6-9(3,4)10-8;9-5(10)1-3(7(13)14)4(8(15)16)2-6(11)12/h14H,2-13H2,1H3;7,10-11H,5-6H2,1-4H3;3-4H,1-2H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16)
InChIKeyQYXWRPIUJXAUSI-UHFFFAOYSA-N
XLogP4.91
TPSA201.69 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.78
LogP ≤ 54.91
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze butane-1,2,3,4-tetracarboxylic acid;2,2,6,6-tetramethylpiperidin-4-ol;tridecan-1-ol with MolForge

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Related Compounds

ethanol;hexanedioic acid;2,2,6,6-tetramethylpiperidin-4-ol
CID 174733730
5-oxo-5-[1,2,3-tris(2,2,6,6-tetramethylpiperidin-4-yl)tridecoxy]pentane-1,2,3-tricarboxylic acid
CID 66669696
butane-1,2,3,4-tetracarboxylic acid;1,2,2,6,6-pentamethylpiperidin-4-ol
CID 67948772
N-butylbutan-1-amine;ethanol;2,2,6,6-tetramethylpiperidin-4-ol
CID 174840743
(2S)-2-aminobutanedioic acid;bis(hexan-1-ol)
CID 87354643
2-bromoacetic acid;undecan-1-ol
CID 175205169
2-dodec-2-enyl-2-(2,2,6,6-tetramethylpiperidin-4-yl)oxybutanedioic acid
CID 54247790
3-O,4-O-bis(2,2,6,6-tetramethylpiperidin-4-yl) 1-O,2-O-ditridecyl butane-1,2,3,4-tetracarboxylate
CID 58004425
octadecan-1-ol;propanoic acid
CID 158858583
6-[(2,2,6,6-tetramethylpiperidin-4-yl)oxycarbonylamino]undecanoic acid
CID 90832093
12-(2,2,6,6-tetramethylpiperidin-4-yl)oxydodecan-1-ol
CID 175888829
hexacosan-1-ol;2-hydroxypropanoic acid
CID 175494686

Frequently Asked Questions

What is the IUPAC name of butane-1,2,3,4-tetracarboxylic acid;2,2,6,6-tetramethylpiperidin-4-ol;tridecan-1-ol?
The IUPAC name of butane-1,2,3,4-tetracarboxylic acid;2,2,6,6-tetramethylpiperidin-4-ol;tridecan-1-ol (CID 68630296) is butane-1,2,3,4-tetracarboxylic acid;2,2,6,6-tetramethylpiperidin-4-ol;tridecan-1-ol.
What is the SMILES notation for butane-1,2,3,4-tetracarboxylic acid;2,2,6,6-tetramethylpiperidin-4-ol;tridecan-1-ol?
The canonical SMILES for butane-1,2,3,4-tetracarboxylic acid;2,2,6,6-tetramethylpiperidin-4-ol;tridecan-1-ol is CC1(C)CC(O)CC(C)(C)N1.CCCCCCCCCCCCCO.O=C(O)CC(C(=O)O)C(CC(=O)O)C(=O)O.
What is the InChIKey of butane-1,2,3,4-tetracarboxylic acid;2,2,6,6-tetramethylpiperidin-4-ol;tridecan-1-ol?
The InChIKey is QYXWRPIUJXAUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O.C9H19NO.C8H10O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14;1-8(2)5-7(11)6-9(3,4)10-8;9-5(10)1-3(7(13)14)4(8(15)16)2-6(11)12/h14H,2-13H2,1H3;7,10-11H,5-6H2,1-4H3;3-4H,1-2H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16).
What are the key properties of butane-1,2,3,4-tetracarboxylic acid;2,2,6,6-tetramethylpiperidin-4-ol;tridecan-1-ol?
butane-1,2,3,4-tetracarboxylic acid;2,2,6,6-tetramethylpiperidin-4-ol;tridecan-1-ol has a molecular weight of 591.78 g/mol, XLogP of 4.91, 18 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for butane-1,2,3,4-tetracarboxylic acid;2,2,6,6-tetramethylpiperidin-4-ol;tridecan-1-ol is sourced from PubChem (CID 68630296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).