dimethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethyl]propanedioate

C11H20O5 — CID 103972473

IUPACdimethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethyl]propanedioate
SMILESCOC(=O)C(CCOC(C)(C)C)C(=O)OC
InChIInChI=1S/C11H20O5/c1-11(2,3)16-7-6-8(9(12)14-4)10(13)15-5/h8H,6-7H2,1-5H3
InChIKeyFINYJUMVGIUFKA-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.15
Rot. Bonds5

About dimethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethyl]propanedioate

dimethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethyl]propanedioate (PubChem CID 103972473) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is dimethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethyl]propanedioate.

Molecular Properties

Compound Namedimethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethyl]propanedioate
PubChem CID103972473
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Namedimethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethyl]propanedioate
SMILESCOC(=O)C(CCOC(C)(C)C)C(=O)OC
InChIInChI=1S/C11H20O5/c1-11(2,3)16-7-6-8(9(12)14-4)10(13)15-5/h8H,6-7H2,1-5H3
InChIKeyFINYJUMVGIUFKA-UHFFFAOYSA-N
XLogP1.15
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(cyclopropylamino)-4-[(2-methylpropan-2-yl)oxy]butanoate
CID 63041148
tetramethyl pentane-1,1,5,5-tetracarboxylate
CID 2266639
dimethyl 2-(3-methoxy-3-methylbutyl)propanedioate
CID 103023222
3-O-tert-butyl 1-O-methyl 2-(3-amino-3-hydroxypropyl)propanedioate
CID 174531674
dimethyl 2-(3-methylbutyl)propanedioate
CID 12885826
3-O,3-O-ditert-butyl 1-O,1-O-dimethyl propane-1,1,3,3-tetracarboxylate
CID 141234633
methyl 2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propanoate
CID 139757368
3-(2-chloroethyl)-5-[(2-methylpropan-2-yl)oxy]pentan-2-one
CID 103344143
3-O-tert-butyl 1-O-methyl (2S)-2-(7-bromoheptyl)propanedioate
CID 129387790
dimethyl 2-(5-hydroxy-5-methylhex-3-ynyl)propanedioate
CID 121001333
(2S)-4-[(2-methylpropan-2-yl)oxy]butan-2-ol
CID 154621422
dimethyl 2-(3,3,4,4,4-pentafluorobutyl)propanedioate
CID 139808891

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethyl]propanedioate?
The IUPAC name of dimethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethyl]propanedioate (CID 103972473) is dimethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethyl]propanedioate.
What is the SMILES notation for dimethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethyl]propanedioate?
The canonical SMILES for dimethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethyl]propanedioate is COC(=O)C(CCOC(C)(C)C)C(=O)OC.
What is the InChIKey of dimethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethyl]propanedioate?
The InChIKey is FINYJUMVGIUFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O5/c1-11(2,3)16-7-6-8(9(12)14-4)10(13)15-5/h8H,6-7H2,1-5H3.
What are the key properties of dimethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethyl]propanedioate?
dimethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethyl]propanedioate has a molecular weight of 232.28 g/mol, XLogP of 1.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethyl]propanedioate is sourced from PubChem (CID 103972473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).