1-(3-methyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate

C11H16O4 — CID 132519026

IUPAC1-(3-methyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)C1(C)CCOC1=O
InChIInChI=1S/C11H16O4/c1-7(2)9(12)15-8(3)11(4)5-6-14-10(11)13/h8H,1,5-6H2,2-4H3
InChIKeyHCRHGFYVLZGTKQ-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.45
Rot. Bonds3

About 1-(3-methyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate

1-(3-methyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate (PubChem CID 132519026) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 1-(3-methyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name1-(3-methyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate
PubChem CID132519026
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name1-(3-methyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)C1(C)CCOC1=O
InChIInChI=1S/C11H16O4/c1-7(2)9(12)15-8(3)11(4)5-6-14-10(11)13/h8H,1,5-6H2,2-4H3
InChIKeyHCRHGFYVLZGTKQ-UHFFFAOYSA-N
XLogP1.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(3-methyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3R)-3-methyl-2-oxooxolan-3-yl]ethyl 2-methylprop-2-enoate
CID 166649248
3-methyl-3-[1-(3-methylbuta-1,3-dien-2-yloxy)ethyl]oxolan-2-one
CID 165162707
propan-2-yl 3-(2-methylprop-2-enoyloxy)-2-oxooxolane-3-carboxylate
CID 141024126
1-(2-methyl-1,3-dithian-2-yl)ethyl 2-methylprop-2-enoate
CID 22891758
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-[(1R,2R,4R)-2-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]ethyl 2-methylprop-2-enoate
CID 141470621
(4a-methyl-1-oxo-3,4,5,6,7,7a-hexahydrocyclopenta[c]pyran-5-yl) 2-methylprop-2-enoate
CID 22168882
(1-hydroxy-2-methylpropyl) 2-methylprop-2-enoate
CID 54304297
(4-ethenyl-2-oxooxan-4-yl) 2-methylprop-2-enoate
CID 164986824
benzene;propan-2-yl 2-methylprop-2-enoate
CID 174524984
methyl 2-(3-methyl-2-oxooxolan-3-yl)acetate
CID 86198190

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate?
The IUPAC name of 1-(3-methyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate (CID 132519026) is 1-(3-methyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 1-(3-methyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 1-(3-methyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)C1(C)CCOC1=O.
What is the InChIKey of 1-(3-methyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate?
The InChIKey is HCRHGFYVLZGTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-7(2)9(12)15-8(3)11(4)5-6-14-10(11)13/h8H,1,5-6H2,2-4H3.
What are the key properties of 1-(3-methyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate?
1-(3-methyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate has a molecular weight of 212.24 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-oxooxolan-3-yl)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 132519026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).