ethyl (E)-but-2-enoate;methyl 2-methylprop-2-enoate

C11H18O4 — CID 18785000

IUPACethyl (E)-but-2-enoate;methyl 2-methylprop-2-enoate
SMILESC/C=C/C(=O)OCC.C=C(C)C(=O)OC
InChIInChI=1S/C6H10O2.C5H8O2/c1-3-5-6(7)8-4-2;1-4(2)5(6)7-3/h3,5H,4H2,1-2H3;1H2,2-3H3/b5-3+;
InChIKeyYDUJYNDMVZHCLB-WGCWOXMQSA-N
MW214.26 g/mol
LogP1.86
Rot. Bonds3

About ethyl (E)-but-2-enoate;methyl 2-methylprop-2-enoate

ethyl (E)-but-2-enoate;methyl 2-methylprop-2-enoate (PubChem CID 18785000) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is ethyl (E)-but-2-enoate;methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-but-2-enoate;methyl 2-methylprop-2-enoate
PubChem CID18785000
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Nameethyl (E)-but-2-enoate;methyl 2-methylprop-2-enoate
SMILESC/C=C/C(=O)OCC.C=C(C)C(=O)OC
InChIInChI=1S/C6H10O2.C5H8O2/c1-3-5-6(7)8-4-2;1-4(2)5(6)7-3/h3,5H,4H2,1-2H3;1H2,2-3H3/b5-3+;
InChIKeyYDUJYNDMVZHCLB-WGCWOXMQSA-N
XLogP1.86
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-but-2-enoate;methanamine
CID 88817268
pentakis(ethyl prop-2-enoate);heptakis(methyl 2-methylprop-2-enoate);heptakis(2-methylprop-2-enoic acid)
CID 173459467
chloromethane;ethyl prop-2-enoate;methyl 2-methylprop-2-enoate;prop-2-enoic acid
CID 174378741
hydroxylamine;methyl 2-methylprop-2-enoate
CID 174509239
[2,2-dimethyl-3-(2-methylprop-2-enoyloxy)propyl] but-2-enoate
CID 91474787
ethyl prop-2-enoate;methyl 2-methylprop-2-enoate;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 87802810
ethyl 2-methylprop-2-enoate
CID 130475774
diethyl (E)-(1,2,3,4-13C4)but-2-enedioate
CID 11298268
methyl 2-methylprop-2-enoate;nickel
CID 88732958
methyl 2-methylprop-2-enoate;propan-2-one
CID 18939878
methyl 2-methylprop-2-enoate;polane
CID 173074189
methyl 2-methylprop-2-enoate;phosphane
CID 158704529

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-but-2-enoate;methyl 2-methylprop-2-enoate?
The IUPAC name of ethyl (E)-but-2-enoate;methyl 2-methylprop-2-enoate (CID 18785000) is ethyl (E)-but-2-enoate;methyl 2-methylprop-2-enoate.
What is the SMILES notation for ethyl (E)-but-2-enoate;methyl 2-methylprop-2-enoate?
The canonical SMILES for ethyl (E)-but-2-enoate;methyl 2-methylprop-2-enoate is C/C=C/C(=O)OCC.C=C(C)C(=O)OC.
What is the InChIKey of ethyl (E)-but-2-enoate;methyl 2-methylprop-2-enoate?
The InChIKey is YDUJYNDMVZHCLB-WGCWOXMQSA-N. The full InChI is InChI=1S/C6H10O2.C5H8O2/c1-3-5-6(7)8-4-2;1-4(2)5(6)7-3/h3,5H,4H2,1-2H3;1H2,2-3H3/b5-3+;.
What are the key properties of ethyl (E)-but-2-enoate;methyl 2-methylprop-2-enoate?
ethyl (E)-but-2-enoate;methyl 2-methylprop-2-enoate has a molecular weight of 214.26 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-but-2-enoate;methyl 2-methylprop-2-enoate is sourced from PubChem (CID 18785000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).