2-(2-methylprop-2-enoyloxy)ethyl 2-methylidenebutanoate

C11H16O4 — CID 87287527

IUPAC2-(2-methylprop-2-enoyloxy)ethyl 2-methylidenebutanoate
SMILESC=C(C)C(=O)OCCOC(=O)C(=C)CC
InChIInChI=1S/C11H16O4/c1-5-9(4)11(13)15-7-6-14-10(12)8(2)3/h2,4-7H2,1,3H3
InChIKeyWQPGJCYPWLDGBG-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.62
Rot. Bonds6

About 2-(2-methylprop-2-enoyloxy)ethyl 2-methylidenebutanoate

2-(2-methylprop-2-enoyloxy)ethyl 2-methylidenebutanoate (PubChem CID 87287527) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 2-(2-methylprop-2-enoyloxy)ethyl 2-methylidenebutanoate.

Molecular Properties

Compound Name2-(2-methylprop-2-enoyloxy)ethyl 2-methylidenebutanoate
PubChem CID87287527
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name2-(2-methylprop-2-enoyloxy)ethyl 2-methylidenebutanoate
SMILESC=C(C)C(=O)OCCOC(=O)C(=C)CC
InChIInChI=1S/C11H16O4/c1-5-9(4)11(13)15-7-6-14-10(12)8(2)3/h2,4-7H2,1,3H3
InChIKeyWQPGJCYPWLDGBG-UHFFFAOYSA-N
XLogP1.62
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.62
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

2-O-[[2-[2-(2-methylidenebutanoyloxy)ethoxy]-2-oxoacetyl]oxymethyl] 1-O-[2-(2-methylprop-2-enoyloxy)ethyl] oxalate
CID 170394745
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
2-O-[2-(2-methylprop-2-enoyloxy)ethyl] 1-O-propyl oxalate
CID 153485149
2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 18762112
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 7979
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 139628547
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;tridecane
CID 87383190
2-hydroperoxyethyl 2-methylprop-2-enoate
CID 18987502
2-(3-methylbuta-1,3-dien-2-yloxy)ethyl 2-methylprop-2-enoate
CID 58535870
methyl 2-methylprop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 3080735
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;hexakis(prop-1-ene)
CID 173226000
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;dodecakis(prop-1-ene)
CID 173326779

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylprop-2-enoyloxy)ethyl 2-methylidenebutanoate?
The IUPAC name of 2-(2-methylprop-2-enoyloxy)ethyl 2-methylidenebutanoate (CID 87287527) is 2-(2-methylprop-2-enoyloxy)ethyl 2-methylidenebutanoate.
What is the SMILES notation for 2-(2-methylprop-2-enoyloxy)ethyl 2-methylidenebutanoate?
The canonical SMILES for 2-(2-methylprop-2-enoyloxy)ethyl 2-methylidenebutanoate is C=C(C)C(=O)OCCOC(=O)C(=C)CC.
What is the InChIKey of 2-(2-methylprop-2-enoyloxy)ethyl 2-methylidenebutanoate?
The InChIKey is WQPGJCYPWLDGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-5-9(4)11(13)15-7-6-14-10(12)8(2)3/h2,4-7H2,1,3H3.
What are the key properties of 2-(2-methylprop-2-enoyloxy)ethyl 2-methylidenebutanoate?
2-(2-methylprop-2-enoyloxy)ethyl 2-methylidenebutanoate has a molecular weight of 212.24 g/mol, XLogP of 1.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enoyloxy)ethyl 2-methylidenebutanoate is sourced from PubChem (CID 87287527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).