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

C13H22O8 — CID 118048851

IUPACdimethyl (E)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]but-2-enedioate
SMILESCOCCOCCOCCO/C(=C/C(=O)OC)C(=O)OC
InChIInChI=1S/C13H22O8/c1-16-4-5-19-6-7-20-8-9-21-11(13(15)18-3)10-12(14)17-2/h10H,4-9H2,1-3H3/b11-10+
InChIKeyKALGJFFEKYCTQB-ZHACJKMWSA-N
MW306.31 g/mol
LogP-0.09
Rot. Bonds12

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

dimethyl (E)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]but-2-enedioate (PubChem CID 118048851) has the molecular formula C13H22O8 and a molecular weight of 306.31 g/mol. Its IUPAC name is dimethyl (E)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]but-2-enedioate.

Molecular Properties

Compound Namedimethyl (E)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]but-2-enedioate
PubChem CID118048851
Molecular FormulaC13H22O8
Molecular Weight306.31 g/mol
Exact Mass306.13
IUPAC Namedimethyl (E)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]but-2-enedioate
SMILESCOCCOCCOCCO/C(=C/C(=O)OC)C(=O)OC
InChIInChI=1S/C13H22O8/c1-16-4-5-19-6-7-20-8-9-21-11(13(15)18-3)10-12(14)17-2/h10H,4-9H2,1-3H3/b11-10+
InChIKeyKALGJFFEKYCTQB-ZHACJKMWSA-N
XLogP-0.09
TPSA89.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-methoxyethoxy)ethoxy]but-2-enedioate
CID 118048854
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-(2-methoxyethoxy)ethoxy]ethoxy]but-2-enedioate?
The IUPAC name of dimethyl (E)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]but-2-enedioate (CID 118048851) is dimethyl (E)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]but-2-enedioate.
What is the SMILES notation for dimethyl (E)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]but-2-enedioate?
The canonical SMILES for dimethyl (E)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]but-2-enedioate is COCCOCCOCCO/C(=C/C(=O)OC)C(=O)OC.
What is the InChIKey of dimethyl (E)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]but-2-enedioate?
The InChIKey is KALGJFFEKYCTQB-ZHACJKMWSA-N. The full InChI is InChI=1S/C13H22O8/c1-16-4-5-19-6-7-20-8-9-21-11(13(15)18-3)10-12(14)17-2/h10H,4-9H2,1-3H3/b11-10+.
What are the key properties of dimethyl (E)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]but-2-enedioate?
dimethyl (E)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]but-2-enedioate has a molecular weight of 306.31 g/mol, XLogP of -0.09, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (E)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]but-2-enedioate is sourced from PubChem (CID 118048851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).