1-acetyloxyethyl 2-methylprop-2-enoate

C8H12O4 — CID 18517368

IUPAC1-acetyloxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)OC(C)=O
InChIInChI=1S/C8H12O4/c1-5(2)8(10)12-7(4)11-6(3)9/h7H,1H2,2-4H3
InChIKeyMAAUOZJYNPJIGM-UHFFFAOYSA-N
MW172.18 g/mol
LogP1.01
Rot. Bonds3

About 1-acetyloxyethyl 2-methylprop-2-enoate

1-acetyloxyethyl 2-methylprop-2-enoate (PubChem CID 18517368) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is 1-acetyloxyethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-acetyloxyethyl 2-methylprop-2-enoate
PubChem CID18517368
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Name1-acetyloxyethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)OC(C)=O
InChIInChI=1S/C8H12O4/c1-5(2)8(10)12-7(4)11-6(3)9/h7H,1H2,2-4H3
InChIKeyMAAUOZJYNPJIGM-UHFFFAOYSA-N
XLogP1.01
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 51.01
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

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-[(2-methylpropan-2-yl)oxy]ethyl 2-methylprop-2-enoate
CID 22051873
1-(2-methylprop-2-enoyloxy)ethyl but-2-enoate
CID 173400140
1-acetyloxyethyl (E)-2-methylbut-2-enoate
CID 87922241
benzene;propan-2-yl 2-methylprop-2-enoate
CID 174524984
[2-methyl-1-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 139940333
(1-hydroxy-2-methylpropyl) 2-methylprop-2-enoate
CID 54304297
[(2S,4S)-4-(2-methylprop-2-enoyloxy)pentan-2-yl] 2-methylprop-2-enoate
CID 101184166
1-methoxyethyl 2-methylprop-2-enoate;bis(prop-2-enoic acid)
CID 174970687
calcium 1-(2-methylprop-2-enoyloxy)ethanesulfonic acid
CID 19966600
1,1-difluoro-2-[1-(2-methylprop-2-enoyloxy)ethoxy]-2-oxoethanesulfonic acid
CID 58491434

Frequently Asked Questions

What is the IUPAC name of 1-acetyloxyethyl 2-methylprop-2-enoate?
The IUPAC name of 1-acetyloxyethyl 2-methylprop-2-enoate (CID 18517368) is 1-acetyloxyethyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-acetyloxyethyl 2-methylprop-2-enoate?
The canonical SMILES for 1-acetyloxyethyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)OC(C)=O.
What is the InChIKey of 1-acetyloxyethyl 2-methylprop-2-enoate?
The InChIKey is MAAUOZJYNPJIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O4/c1-5(2)8(10)12-7(4)11-6(3)9/h7H,1H2,2-4H3.
What are the key properties of 1-acetyloxyethyl 2-methylprop-2-enoate?
1-acetyloxyethyl 2-methylprop-2-enoate has a molecular weight of 172.18 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyloxyethyl 2-methylprop-2-enoate is sourced from PubChem (CID 18517368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).