ethyl 3-methyl-3-(2-methylprop-2-enoyloxy)butanoate

C11H18O4 — CID 138654943

IUPACethyl 3-methyl-3-(2-methylprop-2-enoyloxy)butanoate
SMILESC=C(C)C(=O)OC(C)(C)CC(=O)OCC
InChIInChI=1S/C11H18O4/c1-6-14-9(12)7-11(4,5)15-10(13)8(2)3/h2,6-7H2,1,3-5H3
InChIKeyPGLHQKBTWSNUFH-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.84
Rot. Bonds5

About ethyl 3-methyl-3-(2-methylprop-2-enoyloxy)butanoate

ethyl 3-methyl-3-(2-methylprop-2-enoyloxy)butanoate (PubChem CID 138654943) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is ethyl 3-methyl-3-(2-methylprop-2-enoyloxy)butanoate.

Molecular Properties

Compound Nameethyl 3-methyl-3-(2-methylprop-2-enoyloxy)butanoate
PubChem CID138654943
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Nameethyl 3-methyl-3-(2-methylprop-2-enoyloxy)butanoate
SMILESC=C(C)C(=O)OC(C)(C)CC(=O)OCC
InChIInChI=1S/C11H18O4/c1-6-14-9(12)7-11(4,5)15-10(13)8(2)3/h2,6-7H2,1,3-5H3
InChIKeyPGLHQKBTWSNUFH-UHFFFAOYSA-N
XLogP1.84
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.84
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

[2,6-dimethyl-6-(2-methylprop-2-enoyloxy)-4-oxoheptan-2-yl] 2-methylprop-2-enoate
CID 139852007
(1-ethoxy-2-methylpropan-2-yl) 2-methylprop-2-enoate
CID 20643876
ethyl 2-methylprop-2-enoate
CID 130475774
2-(2-ethoxycarbonyloxypropan-2-yloxy)propan-2-yl 2-methylprop-2-enoate
CID 174325066
2,5,5-trimethylhexan-2-yl 2-methylprop-2-enoate
CID 88557517
[1-[bis[2-methyl-2-(2-methylprop-2-enoyloxy)propyl]amino]-2-methylpropan-2-yl] 2-methylprop-2-enoate
CID 87627513
ethyl 2-methylprop-2-enoate;methane
CID 159235789
sodium ethyl 2-methylprop-2-enoate
CID 23346885
ethyl 2-methylprop-2-enoate;phosphane
CID 159151613
ethane;bis(ethyl 2-methylprop-2-enoate)
CID 146295289
[2-(2,2-difluoro-2-sulfanylethoxy)-1-ethoxy-1-oxopropan-2-yl] 2-methylprop-2-enoate
CID 88551950
(2-methyl-1-phosphorosooxypropan-2-yl) 2-methylprop-2-enoate
CID 150505910

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-3-(2-methylprop-2-enoyloxy)butanoate?
The IUPAC name of ethyl 3-methyl-3-(2-methylprop-2-enoyloxy)butanoate (CID 138654943) is ethyl 3-methyl-3-(2-methylprop-2-enoyloxy)butanoate.
What is the SMILES notation for ethyl 3-methyl-3-(2-methylprop-2-enoyloxy)butanoate?
The canonical SMILES for ethyl 3-methyl-3-(2-methylprop-2-enoyloxy)butanoate is C=C(C)C(=O)OC(C)(C)CC(=O)OCC.
What is the InChIKey of ethyl 3-methyl-3-(2-methylprop-2-enoyloxy)butanoate?
The InChIKey is PGLHQKBTWSNUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-6-14-9(12)7-11(4,5)15-10(13)8(2)3/h2,6-7H2,1,3-5H3.
What are the key properties of ethyl 3-methyl-3-(2-methylprop-2-enoyloxy)butanoate?
ethyl 3-methyl-3-(2-methylprop-2-enoyloxy)butanoate has a molecular weight of 214.26 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-3-(2-methylprop-2-enoyloxy)butanoate is sourced from PubChem (CID 138654943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).