2-[2-(2-methylidene-3-oxobutoxy)ethoxy]ethyl prop-2-enoate

C12H18O5 — CID 123141984

IUPAC2-[2-(2-methylidene-3-oxobutoxy)ethoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOCCOCC(=C)C(C)=O
InChIInChI=1S/C12H18O5/c1-4-12(14)17-8-7-15-5-6-16-9-10(2)11(3)13/h4H,1-2,5-9H2,3H3
InChIKeyVCJRIPUIZZQBRD-UHFFFAOYSA-N
MW242.27 g/mol
LogP0.89
Rot. Bonds10

About 2-[2-(2-methylidene-3-oxobutoxy)ethoxy]ethyl prop-2-enoate

2-[2-(2-methylidene-3-oxobutoxy)ethoxy]ethyl prop-2-enoate (PubChem CID 123141984) has the molecular formula C12H18O5 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-[2-(2-methylidene-3-oxobutoxy)ethoxy]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[2-(2-methylidene-3-oxobutoxy)ethoxy]ethyl prop-2-enoate
PubChem CID123141984
Molecular FormulaC12H18O5
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name2-[2-(2-methylidene-3-oxobutoxy)ethoxy]ethyl prop-2-enoate
SMILESC=CC(=O)OCCOCCOCC(=C)C(C)=O
InChIInChI=1S/C12H18O5/c1-4-12(14)17-8-7-15-5-6-16-9-10(2)11(3)13/h4H,1-2,5-9H2,3H3
InChIKeyVCJRIPUIZZQBRD-UHFFFAOYSA-N
XLogP0.89
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(Acetoacetoxy)ethyl methacrylate
CID 88855
(2-Methylidene-3-oxobutyl) 2-methylprop-2-enoate
CID 85554070
Butyl prop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 88162500
3-Buten-2-one, 3-[(acetyloxy)methyl]-(9CI)
CID 11275055
Ethylene-ethyl acrylate
CID 19079980
Butyl acrylate Methyl Methacrylate 2-Acetoacetoxyethyl Methacrylate
CID 86748998
Methyl prop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 87695274
(4-Methyl-3-oxopent-4-enyl) prop-2-enoate
CID 102343914
Methyl Methyacrylate 2-Acetoacetoxyethyl Methacrylate
CID 131728346
Ethyl prop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 158035079
Methyl 2-methylprop-2-enoate;2-prop-2-enoyloxyethyl prop-2-enoate
CID 158382330
1-(2-Methylprop-2-enoyloxy)propan-2-yl 3-oxobutanoate
CID 23437362

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylidene-3-oxobutoxy)ethoxy]ethyl prop-2-enoate?
The IUPAC name of 2-[2-(2-methylidene-3-oxobutoxy)ethoxy]ethyl prop-2-enoate (CID 123141984) is 2-[2-(2-methylidene-3-oxobutoxy)ethoxy]ethyl prop-2-enoate.
What is the SMILES notation for 2-[2-(2-methylidene-3-oxobutoxy)ethoxy]ethyl prop-2-enoate?
The canonical SMILES for 2-[2-(2-methylidene-3-oxobutoxy)ethoxy]ethyl prop-2-enoate is C=CC(=O)OCCOCCOCC(=C)C(C)=O.
What is the InChIKey of 2-[2-(2-methylidene-3-oxobutoxy)ethoxy]ethyl prop-2-enoate?
The InChIKey is VCJRIPUIZZQBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O5/c1-4-12(14)17-8-7-15-5-6-16-9-10(2)11(3)13/h4H,1-2,5-9H2,3H3.
What are the key properties of 2-[2-(2-methylidene-3-oxobutoxy)ethoxy]ethyl prop-2-enoate?
2-[2-(2-methylidene-3-oxobutoxy)ethoxy]ethyl prop-2-enoate has a molecular weight of 242.27 g/mol, XLogP of 0.89, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylidene-3-oxobutoxy)ethoxy]ethyl prop-2-enoate is sourced from PubChem (CID 123141984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).