bis[2-(oxiran-2-ylmethoxy)ethyl] (Z)-but-2-enedioate

C14H20O8 — CID 88755301

IUPACbis[2-(oxiran-2-ylmethoxy)ethyl] (Z)-but-2-enedioate
SMILESO=C(/C=C\C(=O)OCCOCC1CO1)OCCOCC1CO1
InChIInChI=1S/C14H20O8/c15-13(19-5-3-17-7-11-9-21-11)1-2-14(16)20-6-4-18-8-12-10-22-12/h1-2,11-12H,3-10H2/b2-1-
InChIKeyPWAYSACEDKLARP-UPHRSURJSA-N
MW316.31 g/mol
LogP-0.54
Rot. Bonds12

About bis[2-(oxiran-2-ylmethoxy)ethyl] (Z)-but-2-enedioate

bis[2-(oxiran-2-ylmethoxy)ethyl] (Z)-but-2-enedioate (PubChem CID 88755301) has the molecular formula C14H20O8 and a molecular weight of 316.31 g/mol. Its IUPAC name is bis[2-(oxiran-2-ylmethoxy)ethyl] (Z)-but-2-enedioate.

Molecular Properties

Compound Namebis[2-(oxiran-2-ylmethoxy)ethyl] (Z)-but-2-enedioate
PubChem CID88755301
Molecular FormulaC14H20O8
Molecular Weight316.31 g/mol
Exact Mass316.12
IUPAC Namebis[2-(oxiran-2-ylmethoxy)ethyl] (Z)-but-2-enedioate
SMILESO=C(/C=C\C(=O)OCCOCC1CO1)OCCOCC1CO1
InChIInChI=1S/C14H20O8/c15-13(19-5-3-17-7-11-9-21-11)1-2-14(16)20-6-4-18-8-12-10-22-12/h1-2,11-12H,3-10H2/b2-1-
InChIKeyPWAYSACEDKLARP-UPHRSURJSA-N
XLogP-0.54
TPSA96.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 5-0.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-(oxiran-2-ylmethoxy)ethyl 2-methylbut-2-enoate
CID 174745947
6-(oxiran-2-ylmethoxy)hexyl prop-2-enoate
CID 87786721
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 58765936
1-O-ethyl 4-O-(oxiran-2-ylmethyl) (Z)-but-2-enedioate
CID 6433943
2-(oxiran-2-ylmethoxy)ethyl 2-bromo-2-methylpropanoate
CID 122573053
oxiran-2-ylmethyl 3-(oxiran-2-ylmethoxy)propanoate
CID 6454894
2-(oxiran-2-ylmethoxy)ethanol;prop-2-enoic acid
CID 158133207
2-methylbut-2-enoic acid;2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxymethyl]oxirane
CID 88716952
2-(oxiran-2-ylmethoxy)ethyl 2,2-dimethylbutanoate
CID 21349115
O-[2-(oxiran-2-ylmethoxy)ethyl]hydroxylamine
CID 163419249
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 90384181
2-(oxiran-2-ylmethoxy)ethyl benzoate
CID 13013250

Frequently Asked Questions

What is the IUPAC name of bis[2-(oxiran-2-ylmethoxy)ethyl] (Z)-but-2-enedioate?
The IUPAC name of bis[2-(oxiran-2-ylmethoxy)ethyl] (Z)-but-2-enedioate (CID 88755301) is bis[2-(oxiran-2-ylmethoxy)ethyl] (Z)-but-2-enedioate.
What is the SMILES notation for bis[2-(oxiran-2-ylmethoxy)ethyl] (Z)-but-2-enedioate?
The canonical SMILES for bis[2-(oxiran-2-ylmethoxy)ethyl] (Z)-but-2-enedioate is O=C(/C=C\C(=O)OCCOCC1CO1)OCCOCC1CO1.
What is the InChIKey of bis[2-(oxiran-2-ylmethoxy)ethyl] (Z)-but-2-enedioate?
The InChIKey is PWAYSACEDKLARP-UPHRSURJSA-N. The full InChI is InChI=1S/C14H20O8/c15-13(19-5-3-17-7-11-9-21-11)1-2-14(16)20-6-4-18-8-12-10-22-12/h1-2,11-12H,3-10H2/b2-1-.
What are the key properties of bis[2-(oxiran-2-ylmethoxy)ethyl] (Z)-but-2-enedioate?
bis[2-(oxiran-2-ylmethoxy)ethyl] (Z)-but-2-enedioate has a molecular weight of 316.31 g/mol, XLogP of -0.54, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(oxiran-2-ylmethoxy)ethyl] (Z)-but-2-enedioate is sourced from PubChem (CID 88755301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).