methyl 2-[2-(2-hydroxyethoxy)ethoxy]but-2-enoate

C9H16O5 — CID 173264602

IUPACmethyl 2-[2-(2-hydroxyethoxy)ethoxy]but-2-enoate
SMILESCC=C(OCCOCCO)C(=O)OC
InChIInChI=1S/C9H16O5/c1-3-8(9(11)12-2)14-7-6-13-5-4-10/h3,10H,4-7H2,1-2H3
InChIKeyQYMXQXBZCJNYSM-UHFFFAOYSA-N
MW204.22 g/mol
LogP0.09
Rot. Bonds7

About methyl 2-[2-(2-hydroxyethoxy)ethoxy]but-2-enoate

methyl 2-[2-(2-hydroxyethoxy)ethoxy]but-2-enoate (PubChem CID 173264602) has the molecular formula C9H16O5 and a molecular weight of 204.22 g/mol. Its IUPAC name is methyl 2-[2-(2-hydroxyethoxy)ethoxy]but-2-enoate.

Molecular Properties

Compound Namemethyl 2-[2-(2-hydroxyethoxy)ethoxy]but-2-enoate
PubChem CID173264602
Molecular FormulaC9H16O5
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Namemethyl 2-[2-(2-hydroxyethoxy)ethoxy]but-2-enoate
SMILESCC=C(OCCOCCO)C(=O)OC
InChIInChI=1S/C9H16O5/c1-3-8(9(11)12-2)14-7-6-13-5-4-10/h3,10H,4-7H2,1-2H3
InChIKeyQYMXQXBZCJNYSM-UHFFFAOYSA-N
XLogP0.09
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] oxalate
CID 89311377
dimethyl (E)-2-[2-(2-methoxyethoxy)ethoxy]but-2-enedioate
CID 118048854
dimethyl (E)-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]but-2-enedioate
CID 118048851
bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl] oxalate
CID 174537242
2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methoxyprop-2-enoate
CID 175188156
2-(2-hydroxyethoxy)ethyl 3-methoxy-2-methylprop-2-enoate
CID 90970805
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
CID 91699049
bis[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl] (Z)-but-2-enedioate
CID 87256441
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 19001742
2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-methylbut-2-enoate
CID 141192139
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-methylbut-2-enoate
CID 141061344
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 3-methylbut-2-enoate
CID 141080545

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(2-hydroxyethoxy)ethoxy]but-2-enoate?
The IUPAC name of methyl 2-[2-(2-hydroxyethoxy)ethoxy]but-2-enoate (CID 173264602) is methyl 2-[2-(2-hydroxyethoxy)ethoxy]but-2-enoate.
What is the SMILES notation for methyl 2-[2-(2-hydroxyethoxy)ethoxy]but-2-enoate?
The canonical SMILES for methyl 2-[2-(2-hydroxyethoxy)ethoxy]but-2-enoate is CC=C(OCCOCCO)C(=O)OC.
What is the InChIKey of methyl 2-[2-(2-hydroxyethoxy)ethoxy]but-2-enoate?
The InChIKey is QYMXQXBZCJNYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O5/c1-3-8(9(11)12-2)14-7-6-13-5-4-10/h3,10H,4-7H2,1-2H3.
What are the key properties of methyl 2-[2-(2-hydroxyethoxy)ethoxy]but-2-enoate?
methyl 2-[2-(2-hydroxyethoxy)ethoxy]but-2-enoate has a molecular weight of 204.22 g/mol, XLogP of 0.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(2-hydroxyethoxy)ethoxy]but-2-enoate is sourced from PubChem (CID 173264602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).