dimethyl (E)-2-[2-(2-methoxyethoxy)ethoxy]but-2-enedioate

C11H18O7 — CID 118048854

IUPACdimethyl (E)-2-[2-(2-methoxyethoxy)ethoxy]but-2-enedioate
SMILESCOCCOCCO/C(=C/C(=O)OC)C(=O)OC
InChIInChI=1S/C11H18O7/c1-14-4-5-17-6-7-18-9(11(13)16-3)8-10(12)15-2/h8H,4-7H2,1-3H3/b9-8+
InChIKeyBRLDDQSOKOEVSY-CMDGGOBGSA-N
MW262.26 g/mol
LogP-0.10
Rot. Bonds9

About dimethyl (E)-2-[2-(2-methoxyethoxy)ethoxy]but-2-enedioate

dimethyl (E)-2-[2-(2-methoxyethoxy)ethoxy]but-2-enedioate (PubChem CID 118048854) has the molecular formula C11H18O7 and a molecular weight of 262.26 g/mol. Its IUPAC name is dimethyl (E)-2-[2-(2-methoxyethoxy)ethoxy]but-2-enedioate.

Molecular Properties

Compound Namedimethyl (E)-2-[2-(2-methoxyethoxy)ethoxy]but-2-enedioate
PubChem CID118048854
Molecular FormulaC11H18O7
Molecular Weight262.26 g/mol
Exact Mass262.11
IUPAC Namedimethyl (E)-2-[2-(2-methoxyethoxy)ethoxy]but-2-enedioate
SMILESCOCCOCCO/C(=C/C(=O)OC)C(=O)OC
InChIInChI=1S/C11H18O7/c1-14-4-5-17-6-7-18-9(11(13)16-3)8-10(12)15-2/h8H,4-7H2,1-3H3/b9-8+
InChIKeyBRLDDQSOKOEVSY-CMDGGOBGSA-N
XLogP-0.10
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

dimethyl (E)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]but-2-enedioate
CID 118048851
methyl 2-[2-(2-hydroxyethoxy)ethoxy]but-2-enoate
CID 173264602
dimethyl (E)-2-(2,2,2-trifluoroethoxy)but-2-enedioate
CID 10944587
dimethyl (Z)-2-phenylmethoxybut-2-enedioate
CID 10988690
bis[2-(2-methoxyethoxy)ethyl] (Z)-2,3-dimethylbut-2-enedioate
CID 58362019
2-(2-methoxyethoxy)ethyl (Z)-but-2-enoate
CID 5385708
2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl hydrogen carbonate
CID 87539702
1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] oxalate
CID 89311377
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 22918033
2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate
CID 91716907
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate;2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 162171139
1-ethoxy-2-(2-ethoxyethoxy)ethane;2-methoxyethyl acetate
CID 159055885

Frequently Asked Questions

What is the IUPAC name of dimethyl (E)-2-[2-(2-methoxyethoxy)ethoxy]but-2-enedioate?
The IUPAC name of dimethyl (E)-2-[2-(2-methoxyethoxy)ethoxy]but-2-enedioate (CID 118048854) is dimethyl (E)-2-[2-(2-methoxyethoxy)ethoxy]but-2-enedioate.
What is the SMILES notation for dimethyl (E)-2-[2-(2-methoxyethoxy)ethoxy]but-2-enedioate?
The canonical SMILES for dimethyl (E)-2-[2-(2-methoxyethoxy)ethoxy]but-2-enedioate is COCCOCCO/C(=C/C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl (E)-2-[2-(2-methoxyethoxy)ethoxy]but-2-enedioate?
The InChIKey is BRLDDQSOKOEVSY-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H18O7/c1-14-4-5-17-6-7-18-9(11(13)16-3)8-10(12)15-2/h8H,4-7H2,1-3H3/b9-8+.
What are the key properties of dimethyl (E)-2-[2-(2-methoxyethoxy)ethoxy]but-2-enedioate?
dimethyl (E)-2-[2-(2-methoxyethoxy)ethoxy]but-2-enedioate has a molecular weight of 262.26 g/mol, XLogP of -0.10, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (E)-2-[2-(2-methoxyethoxy)ethoxy]but-2-enedioate is sourced from PubChem (CID 118048854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).