(3-methyl-2,5-dioxopyrrolidin-1-yl) 2-[2-(4,4-dimethylpentan-2-yloxy)ethoxy]acetate

C16H27NO6 — CID 160735938

IUPAC(3-methyl-2,5-dioxopyrrolidin-1-yl) 2-[2-(4,4-dimethylpentan-2-yloxy)ethoxy]acetate
SMILESCC(CC(C)(C)C)OCCOCC(=O)ON1C(=O)CC(C)C1=O
InChIInChI=1S/C16H27NO6/c1-11-8-13(18)17(15(11)20)23-14(19)10-21-6-7-22-12(2)9-16(3,4)5/h11-12H,6-10H2,1-5H3
InChIKeyRUYFVDYEHQLWKJ-UHFFFAOYSA-N
MW329.39 g/mol
LogP1.70
Rot. Bonds8

About (3-methyl-2,5-dioxopyrrolidin-1-yl) 2-[2-(4,4-dimethylpentan-2-yloxy)ethoxy]acetate

(3-methyl-2,5-dioxopyrrolidin-1-yl) 2-[2-(4,4-dimethylpentan-2-yloxy)ethoxy]acetate (PubChem CID 160735938) has the molecular formula C16H27NO6 and a molecular weight of 329.39 g/mol. Its IUPAC name is (3-methyl-2,5-dioxopyrrolidin-1-yl) 2-[2-(4,4-dimethylpentan-2-yloxy)ethoxy]acetate.

Molecular Properties

Compound Name(3-methyl-2,5-dioxopyrrolidin-1-yl) 2-[2-(4,4-dimethylpentan-2-yloxy)ethoxy]acetate
PubChem CID160735938
Molecular FormulaC16H27NO6
Molecular Weight329.39 g/mol
Exact Mass329.18
IUPAC Name(3-methyl-2,5-dioxopyrrolidin-1-yl) 2-[2-(4,4-dimethylpentan-2-yloxy)ethoxy]acetate
SMILESCC(CC(C)(C)C)OCCOCC(=O)ON1C(=O)CC(C)C1=O
InChIInChI=1S/C16H27NO6/c1-11-8-13(18)17(15(11)20)23-14(19)10-21-6-7-22-12(2)9-16(3,4)5/h11-12H,6-10H2,1-5H3
InChIKeyRUYFVDYEHQLWKJ-UHFFFAOYSA-N
XLogP1.70
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethane;(3-methyl-2,5-dioxopyrrolidin-1-yl) acetate
CID 144871508
1-O-(2,5-dioxopyrrolidin-1-yl) 3-O-(3-methyl-2,5-dioxopyrrolidin-1-yl) propanedioate
CID 126608619
methane;(3-methyl-2,5-dioxopyrrolidin-1-yl) acetate
CID 158098437
(3-methyl-2,5-dioxopyrrolidin-1-yl) 3-oxohexanoate
CID 158181411
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 57369360
(2,5-dioxopyrrolidin-1-yl) 2-[2-(2-methoxyethoxy)ethoxy]acetate
CID 71356458
(2,5-dioxopyrrolidin-1-yl) 2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 154803611
tert-butyl 2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]acetate
CID 162050928
(2,5-dioxopyrrolidin-1-yl) 2-[4-(1-amino-2-methylpropan-2-yl)oxybutan-2-yloxy]acetate;ethane
CID 165397730
bis[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethyl] propanedioate
CID 153431412
3-methyl-1-[2-[2-methyl-1-(4-oxopentan-2-yloxy)propan-2-yl]oxyethyl]pyrrolidine-2,5-dione
CID 139406493
(2,5-dioxopyrrolidin-1-yl) 2-[2-(2-bromoacetyl)oxyethoxy]acetate
CID 162642529

Frequently Asked Questions

What is the IUPAC name of (3-methyl-2,5-dioxopyrrolidin-1-yl) 2-[2-(4,4-dimethylpentan-2-yloxy)ethoxy]acetate?
The IUPAC name of (3-methyl-2,5-dioxopyrrolidin-1-yl) 2-[2-(4,4-dimethylpentan-2-yloxy)ethoxy]acetate (CID 160735938) is (3-methyl-2,5-dioxopyrrolidin-1-yl) 2-[2-(4,4-dimethylpentan-2-yloxy)ethoxy]acetate.
What is the SMILES notation for (3-methyl-2,5-dioxopyrrolidin-1-yl) 2-[2-(4,4-dimethylpentan-2-yloxy)ethoxy]acetate?
The canonical SMILES for (3-methyl-2,5-dioxopyrrolidin-1-yl) 2-[2-(4,4-dimethylpentan-2-yloxy)ethoxy]acetate is CC(CC(C)(C)C)OCCOCC(=O)ON1C(=O)CC(C)C1=O.
What is the InChIKey of (3-methyl-2,5-dioxopyrrolidin-1-yl) 2-[2-(4,4-dimethylpentan-2-yloxy)ethoxy]acetate?
The InChIKey is RUYFVDYEHQLWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO6/c1-11-8-13(18)17(15(11)20)23-14(19)10-21-6-7-22-12(2)9-16(3,4)5/h11-12H,6-10H2,1-5H3.
What are the key properties of (3-methyl-2,5-dioxopyrrolidin-1-yl) 2-[2-(4,4-dimethylpentan-2-yloxy)ethoxy]acetate?
(3-methyl-2,5-dioxopyrrolidin-1-yl) 2-[2-(4,4-dimethylpentan-2-yloxy)ethoxy]acetate has a molecular weight of 329.39 g/mol, XLogP of 1.70, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-2,5-dioxopyrrolidin-1-yl) 2-[2-(4,4-dimethylpentan-2-yloxy)ethoxy]acetate is sourced from PubChem (CID 160735938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).