but-2-enedioic acid;bis((1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate)

C30H54N2O10 — CID 173111319

IUPACbut-2-enedioic acid;bis((1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate)
SMILESCCON1C(C)(C)CC(OC(C)=O)CC1(C)C.CCON1C(C)(C)CC(OC(C)=O)CC1(C)C.O=C(O)C=CC(=O)O
InChIInChI=1S/2C13H25NO3.C4H4O4/c2*1-7-16-14-12(3,4)8-11(17-10(2)15)9-13(14,5)6;5-3(6)1-2-4(7)8/h2*11H,7-9H2,1-6H3;1-2H,(H,5,6)(H,7,8)
InChIKeyWWOUDTVJFXLQMS-UHFFFAOYSA-N
MW602.77 g/mol
LogP4.76
Rot. Bonds8

About but-2-enedioic acid;bis((1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate)

but-2-enedioic acid;bis((1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate) (PubChem CID 173111319) has the molecular formula C30H54N2O10 and a molecular weight of 602.77 g/mol. Its IUPAC name is but-2-enedioic acid;bis((1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate).

Molecular Properties

Compound Namebut-2-enedioic acid;bis((1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate)
PubChem CID173111319
Molecular FormulaC30H54N2O10
Molecular Weight602.77 g/mol
Exact Mass602.38
IUPAC Namebut-2-enedioic acid;bis((1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate)
SMILESCCON1C(C)(C)CC(OC(C)=O)CC1(C)C.CCON1C(C)(C)CC(OC(C)=O)CC1(C)C.O=C(O)C=CC(=O)O
InChIInChI=1S/2C13H25NO3.C4H4O4/c2*1-7-16-14-12(3,4)8-11(17-10(2)15)9-13(14,5)6;5-3(6)1-2-4(7)8/h2*11H,7-9H2,1-6H3;1-2H,(H,5,6)(H,7,8)
InChIKeyWWOUDTVJFXLQMS-UHFFFAOYSA-N
XLogP4.76
TPSA152.14 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500602.77
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

(2,2,6,6-tetramethyl-1-prop-2-enoxypiperidin-4-yl) acetate
CID 101373916
bis(1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate
CID 141285453
(1-acetyloxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate
CID 708860
4-O-(1-decoxy-2,2,6,6-tetramethylpiperidin-4-yl) 1-O-(1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) butanedioate
CID 156550746
(2,2,6,6-tetramethyl-1-propan-2-yloxypiperidin-4-yl) acetate
CID 89097628
(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl) prop-2-enoate
CID 141336457
(4-acetyloxy-2,2,6,6-tetramethylpiperidin-1-yl) octadecanoate
CID 20792531
4-oxo-4-(2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl)oxybutanoic acid
CID 155213134
bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) propanedioate;methane
CID 159199816
(1,2,2,6,6-pentamethylpiperidin-4-yl) (2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl) carbonate
CID 58112264
1,2,2,4,6,6-hexamethylpiperidine;(1,2,2,6,6-pentamethylpiperidin-4-yl) acetate
CID 158360818
[1-[7-(4-benzoyloxy-2,2,6,6-tetramethylpiperidin-1-yl)oxyheptoxy]-2,2,6,6-tetramethylpiperidin-4-yl] benzoate
CID 57063329

Frequently Asked Questions

What is the IUPAC name of but-2-enedioic acid;bis((1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate)?
The IUPAC name of but-2-enedioic acid;bis((1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate) (CID 173111319) is but-2-enedioic acid;bis((1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate).
What is the SMILES notation for but-2-enedioic acid;bis((1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate)?
The canonical SMILES for but-2-enedioic acid;bis((1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate) is CCON1C(C)(C)CC(OC(C)=O)CC1(C)C.CCON1C(C)(C)CC(OC(C)=O)CC1(C)C.O=C(O)C=CC(=O)O.
What is the InChIKey of but-2-enedioic acid;bis((1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate)?
The InChIKey is WWOUDTVJFXLQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H25NO3.C4H4O4/c2*1-7-16-14-12(3,4)8-11(17-10(2)15)9-13(14,5)6;5-3(6)1-2-4(7)8/h2*11H,7-9H2,1-6H3;1-2H,(H,5,6)(H,7,8).
What are the key properties of but-2-enedioic acid;bis((1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate)?
but-2-enedioic acid;bis((1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate) has a molecular weight of 602.77 g/mol, XLogP of 4.76, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-enedioic acid;bis((1-ethoxy-2,2,6,6-tetramethylpiperidin-4-yl) acetate) is sourced from PubChem (CID 173111319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).