1-(2-methylprop-2-enoyloxy)ethyl but-2-enoate

C10H14O4 — CID 173400140

IUPAC1-(2-methylprop-2-enoyloxy)ethyl but-2-enoate
SMILESC=C(C)C(=O)OC(C)OC(=O)C=CC
InChIInChI=1S/C10H14O4/c1-5-6-9(11)13-8(4)14-10(12)7(2)3/h5-6,8H,2H2,1,3-4H3
InChIKeyIFBXPPXJEKAMKT-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.57
Rot. Bonds4

About 1-(2-methylprop-2-enoyloxy)ethyl but-2-enoate

1-(2-methylprop-2-enoyloxy)ethyl but-2-enoate (PubChem CID 173400140) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 1-(2-methylprop-2-enoyloxy)ethyl but-2-enoate.

Molecular Properties

Compound Name1-(2-methylprop-2-enoyloxy)ethyl but-2-enoate
PubChem CID173400140
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name1-(2-methylprop-2-enoyloxy)ethyl but-2-enoate
SMILESC=C(C)C(=O)OC(C)OC(=O)C=CC
InChIInChI=1S/C10H14O4/c1-5-6-9(11)13-8(4)14-10(12)7(2)3/h5-6,8H,2H2,1,3-4H3
InChIKeyIFBXPPXJEKAMKT-UHFFFAOYSA-N
XLogP1.57
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-acetyloxyethyl 2-methylprop-2-enoate
CID 18517368
3-[(E)-but-2-enoyl]oxybutan-2-yl (E)-but-2-enoate
CID 101312230
propan-2-yl 2-methylprop-2-enoate
CID 146421311
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649
1-sulfanylethyl but-2-enoate
CID 173263515
1-[[(E)-2-hydroperoxy-4-oxohept-5-en-3-yl]oxy-[1-(2-methylprop-2-enoyloxy)ethoxy]phosphoryl]oxyethyl 2-methylprop-2-enoate
CID 141422606
1-[(2-methylpropan-2-yl)oxy]ethyl 2-methylprop-2-enoate
CID 22051873
1-methoxyethyl 2-methylprop-2-enoate;bis(prop-2-enoic acid)
CID 174970687
[(E)-pent-3-en-2-yl] (E)-but-2-enoate
CID 14910863
methyl prop-2-enoate;propan-2-yl 2-methylprop-2-enoate
CID 174883570
benzene;propan-2-yl 2-methylprop-2-enoate
CID 174524984
ethyl (E)-but-2-enoate;methyl 2-methylprop-2-enoate
CID 18785000

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enoyloxy)ethyl but-2-enoate?
The IUPAC name of 1-(2-methylprop-2-enoyloxy)ethyl but-2-enoate (CID 173400140) is 1-(2-methylprop-2-enoyloxy)ethyl but-2-enoate.
What is the SMILES notation for 1-(2-methylprop-2-enoyloxy)ethyl but-2-enoate?
The canonical SMILES for 1-(2-methylprop-2-enoyloxy)ethyl but-2-enoate is C=C(C)C(=O)OC(C)OC(=O)C=CC.
What is the InChIKey of 1-(2-methylprop-2-enoyloxy)ethyl but-2-enoate?
The InChIKey is IFBXPPXJEKAMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-5-6-9(11)13-8(4)14-10(12)7(2)3/h5-6,8H,2H2,1,3-4H3.
What are the key properties of 1-(2-methylprop-2-enoyloxy)ethyl but-2-enoate?
1-(2-methylprop-2-enoyloxy)ethyl but-2-enoate has a molecular weight of 198.22 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enoyloxy)ethyl but-2-enoate is sourced from PubChem (CID 173400140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).