2-(2-methoxyethoxy)ethyl (Z)-but-2-enoate

C9H16O4 — CID 5385708

IUPAC2-(2-methoxyethoxy)ethyl (Z)-but-2-enoate
SMILESC/C=C\C(=O)OCCOCCOC
InChIInChI=1S/C9H16O4/c1-3-4-9(10)13-8-7-12-6-5-11-2/h3-4H,5-8H2,1-2H3/b4-3-
InChIKeyUXXRAUOFWOBMDV-ARJAWSKDSA-N
MW188.22 g/mol
LogP0.77
Rot. Bonds7

About 2-(2-methoxyethoxy)ethyl (Z)-but-2-enoate

2-(2-methoxyethoxy)ethyl (Z)-but-2-enoate (PubChem CID 5385708) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)ethyl (Z)-but-2-enoate.

Molecular Properties

Compound Name2-(2-methoxyethoxy)ethyl (Z)-but-2-enoate
PubChem CID5385708
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name2-(2-methoxyethoxy)ethyl (Z)-but-2-enoate
SMILESC/C=C\C(=O)OCCOCCOC
InChIInChI=1S/C9H16O4/c1-3-4-9(10)13-8-7-12-6-5-11-2/h3-4H,5-8H2,1-2H3/b4-3-
InChIKeyUXXRAUOFWOBMDV-ARJAWSKDSA-N
XLogP0.77
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(E)-4-[2-[2-[2-[2-[(E)-but-2-enoyl]oxyethoxy]ethoxy]ethoxy]ethoxy]-4-oxobut-2-eneperoxoic acid
CID 146427567
2-[(E)-but-2-enoyl]oxyethyl (E)-but-2-enoate;ethane-1,2-diol
CID 87089825
2-(2-isocyanatoethoxy)ethyl (E)-but-2-enoate
CID 90352979
2-methoxyethyl 2-ethylidenepent-3-enoate
CID 123997768
methane;(E)-4-(2-methoxyethoxy)-4-oxobut-2-enoic acid
CID 157127007
2-[2-[2-[2-[(E)-3-(4-methylpiperazin-1-yl)prop-2-enoyl]oxyethoxy]ethoxy]ethoxy]ethyl (E)-but-2-enoate
CID 176880631
2-but-2-enoyloxyethylphosphonic acid
CID 73432329
3-[tris(2-methoxyethoxy)silyl]propyl but-2-enoate
CID 57295755
3-(3-trimethoxysilylpropoxy)propyl but-2-enoate
CID 141411136
zinc bis(4-(2-methoxyethoxy)-4-oxobut-2-enoate)
CID 162085133
2-methoxyethyl (Z)-4-aminobut-2-enoate
CID 124635031
3-methylbutyl (Z)-but-2-enoate
CID 93481892

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)ethyl (Z)-but-2-enoate?
The IUPAC name of 2-(2-methoxyethoxy)ethyl (Z)-but-2-enoate (CID 5385708) is 2-(2-methoxyethoxy)ethyl (Z)-but-2-enoate.
What is the SMILES notation for 2-(2-methoxyethoxy)ethyl (Z)-but-2-enoate?
The canonical SMILES for 2-(2-methoxyethoxy)ethyl (Z)-but-2-enoate is C/C=C\C(=O)OCCOCCOC.
What is the InChIKey of 2-(2-methoxyethoxy)ethyl (Z)-but-2-enoate?
The InChIKey is UXXRAUOFWOBMDV-ARJAWSKDSA-N. The full InChI is InChI=1S/C9H16O4/c1-3-4-9(10)13-8-7-12-6-5-11-2/h3-4H,5-8H2,1-2H3/b4-3-.
What are the key properties of 2-(2-methoxyethoxy)ethyl (Z)-but-2-enoate?
2-(2-methoxyethoxy)ethyl (Z)-but-2-enoate has a molecular weight of 188.22 g/mol, XLogP of 0.77, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)ethyl (Z)-but-2-enoate is sourced from PubChem (CID 5385708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).