bis(2-methoxyethyl) (E)-hex-2-enedioate

C12H20O6 — CID 122378069

IUPACbis(2-methoxyethyl) (E)-hex-2-enedioate
SMILESCOCCOC(=O)/C=C/CCC(=O)OCCOC
InChIInChI=1S/C12H20O6/c1-15-7-9-17-11(13)5-3-4-6-12(14)18-10-8-16-2/h3,5H,4,6-10H2,1-2H3/b5-3+
InChIKeyVPGAXEWIEYPDKO-HWKANZROSA-N
MW260.29 g/mol
LogP0.70
Rot. Bonds10

About bis(2-methoxyethyl) (E)-hex-2-enedioate

bis(2-methoxyethyl) (E)-hex-2-enedioate (PubChem CID 122378069) has the molecular formula C12H20O6 and a molecular weight of 260.29 g/mol. Its IUPAC name is bis(2-methoxyethyl) (E)-hex-2-enedioate.

Molecular Properties

Compound Namebis(2-methoxyethyl) (E)-hex-2-enedioate
PubChem CID122378069
Molecular FormulaC12H20O6
Molecular Weight260.29 g/mol
Exact Mass260.13
IUPAC Namebis(2-methoxyethyl) (E)-hex-2-enedioate
SMILESCOCCOC(=O)/C=C/CCC(=O)OCCOC
InChIInChI=1S/C12H20O6/c1-15-7-9-17-11(13)5-3-4-6-12(14)18-10-8-16-2/h3,5H,4,6-10H2,1-2H3/b5-3+
InChIKeyVPGAXEWIEYPDKO-HWKANZROSA-N
XLogP0.70
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 124635031
2-butanoyloxyethyl pent-2-enoate
CID 173000504
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CID 123139794
4-O-(2-methoxyethyl) 1-O-(3-oxopropyl) butanedioate
CID 144983599
3-docosa-4,7,10,13,16,19-hexaenoyloxypropyl tetracos-2-enoate
CID 91331786
methyl (E)-5-methoxypent-2-enoate
CID 11116178
[(E)-pent-3-enyl] (E)-hex-4-enoate
CID 155647777
methane;(E)-4-(2-methoxyethoxy)-4-oxobut-2-enoic acid
CID 157127007
zinc bis(4-(2-methoxyethoxy)-4-oxobut-2-enoate)
CID 162085133
azane;2-methoxyethyl undec-10-enoate
CID 174560084
2-methoxyethyl 5-methoxypentanoate
CID 58454735
bis(3-methoxypropyl) (Z)-but-2-enedioate
CID 87255789

Frequently Asked Questions

What is the IUPAC name of bis(2-methoxyethyl) (E)-hex-2-enedioate?
The IUPAC name of bis(2-methoxyethyl) (E)-hex-2-enedioate (CID 122378069) is bis(2-methoxyethyl) (E)-hex-2-enedioate.
What is the SMILES notation for bis(2-methoxyethyl) (E)-hex-2-enedioate?
The canonical SMILES for bis(2-methoxyethyl) (E)-hex-2-enedioate is COCCOC(=O)/C=C/CCC(=O)OCCOC.
What is the InChIKey of bis(2-methoxyethyl) (E)-hex-2-enedioate?
The InChIKey is VPGAXEWIEYPDKO-HWKANZROSA-N. The full InChI is InChI=1S/C12H20O6/c1-15-7-9-17-11(13)5-3-4-6-12(14)18-10-8-16-2/h3,5H,4,6-10H2,1-2H3/b5-3+.
What are the key properties of bis(2-methoxyethyl) (E)-hex-2-enedioate?
bis(2-methoxyethyl) (E)-hex-2-enedioate has a molecular weight of 260.29 g/mol, XLogP of 0.70, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methoxyethyl) (E)-hex-2-enedioate is sourced from PubChem (CID 122378069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).