2-[(E)-but-2-enoyl]oxyethyl (E)-but-2-enoate;ethane-1,2-diol

C12H20O6 — CID 87089825

IUPAC2-[(E)-but-2-enoyl]oxyethyl (E)-but-2-enoate;ethane-1,2-diol
SMILESC/C=C/C(=O)OCCOC(=O)/C=C/C.OCCO
InChIInChI=1S/C10H14O4.C2H6O2/c1-3-5-9(11)13-7-8-14-10(12)6-4-2;3-1-2-4/h3-6H,7-8H2,1-2H3;3-4H,1-2H2/b5-3+,6-4+;
InChIKeySFUFRSSUBKDYMS-WEUBHIEESA-N
MW260.29 g/mol
LogP0.20
Rot. Bonds6

About 2-[(E)-but-2-enoyl]oxyethyl (E)-but-2-enoate;ethane-1,2-diol

2-[(E)-but-2-enoyl]oxyethyl (E)-but-2-enoate;ethane-1,2-diol (PubChem CID 87089825) has the molecular formula C12H20O6 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[(E)-but-2-enoyl]oxyethyl (E)-but-2-enoate;ethane-1,2-diol.

Molecular Properties

Compound Name2-[(E)-but-2-enoyl]oxyethyl (E)-but-2-enoate;ethane-1,2-diol
PubChem CID87089825
Molecular FormulaC12H20O6
Molecular Weight260.29 g/mol
Exact Mass260.13
IUPAC Name2-[(E)-but-2-enoyl]oxyethyl (E)-but-2-enoate;ethane-1,2-diol
SMILESC/C=C/C(=O)OCCOC(=O)/C=C/C.OCCO
InChIInChI=1S/C10H14O4.C2H6O2/c1-3-5-9(11)13-7-8-14-10(12)6-4-2;3-1-2-4/h3-6H,7-8H2,1-2H3;3-4H,1-2H2/b5-3+,6-4+;
InChIKeySFUFRSSUBKDYMS-WEUBHIEESA-N
XLogP0.20
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.20
H-Bond Donors ≤ 52
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

2-(2-methoxyethoxy)ethyl (Z)-but-2-enoate
CID 5385708
3-methylbutyl (Z)-but-2-enoate
CID 93481892
(E)-4-[2-[2-[2-[2-[(E)-but-2-enoyl]oxyethoxy]ethoxy]ethoxy]ethoxy]-4-oxobut-2-eneperoxoic acid
CID 146427567
2-hexa-2,4-dienoyloxyethyl hexa-2,4-dienoate
CID 54422088
(4,4,5,5-tetrafluoro-8-hydroxyoctyl) but-2-enoate
CID 174343988
2-but-2-enoyloxyethylphosphonic acid
CID 73432329
propane;propyl but-2-enoate;zirconium(4+)
CID 173037079
dodecyl (E)-but-2-enoate
CID 5462914
bis(2-hydroxyethyl) (E)-but-2-enedioate
CID 14094562
ethyl (E)-but-2-enoate;methanamine
CID 88817268
2-phenylethyl (E)-but-2-enoate
CID 5354304
dibutyl (Z)-but-2-enedioate;ethane-1,2-diol
CID 175061979

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-but-2-enoyl]oxyethyl (E)-but-2-enoate;ethane-1,2-diol?
The IUPAC name of 2-[(E)-but-2-enoyl]oxyethyl (E)-but-2-enoate;ethane-1,2-diol (CID 87089825) is 2-[(E)-but-2-enoyl]oxyethyl (E)-but-2-enoate;ethane-1,2-diol.
What is the SMILES notation for 2-[(E)-but-2-enoyl]oxyethyl (E)-but-2-enoate;ethane-1,2-diol?
The canonical SMILES for 2-[(E)-but-2-enoyl]oxyethyl (E)-but-2-enoate;ethane-1,2-diol is C/C=C/C(=O)OCCOC(=O)/C=C/C.OCCO.
What is the InChIKey of 2-[(E)-but-2-enoyl]oxyethyl (E)-but-2-enoate;ethane-1,2-diol?
The InChIKey is SFUFRSSUBKDYMS-WEUBHIEESA-N. The full InChI is InChI=1S/C10H14O4.C2H6O2/c1-3-5-9(11)13-7-8-14-10(12)6-4-2;3-1-2-4/h3-6H,7-8H2,1-2H3;3-4H,1-2H2/b5-3+,6-4+;.
What are the key properties of 2-[(E)-but-2-enoyl]oxyethyl (E)-but-2-enoate;ethane-1,2-diol?
2-[(E)-but-2-enoyl]oxyethyl (E)-but-2-enoate;ethane-1,2-diol has a molecular weight of 260.29 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-2-enoyl]oxyethyl (E)-but-2-enoate;ethane-1,2-diol is sourced from PubChem (CID 87089825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).