methyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate;oxolan-2-ylmethyl prop-2-enoate

C20H30O8 — CID 87428070

IUPACmethyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate;oxolan-2-ylmethyl prop-2-enoate
SMILESC=C(C)C(=O)OC.C=C(C)C(=O)OCC1CO1.C=CC(=O)OCC1CCCO1
InChIInChI=1S/C8H12O3.C7H10O3.C5H8O2/c1-2-8(9)11-6-7-4-3-5-10-7;1-5(2)7(8)10-4-6-3-9-6;1-4(2)5(6)7-3/h2,7H,1,3-6H2;6H,1,3-4H2,2H3;1H2,2-3H3
InChIKeyVDWVFLFUQHBFFQ-UHFFFAOYSA-N
MW398.45 g/mol
LogP2.13
Rot. Bonds7

About methyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate;oxolan-2-ylmethyl prop-2-enoate

methyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate;oxolan-2-ylmethyl prop-2-enoate (PubChem CID 87428070) has the molecular formula C20H30O8 and a molecular weight of 398.45 g/mol. Its IUPAC name is methyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate;oxolan-2-ylmethyl prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate;oxolan-2-ylmethyl prop-2-enoate
PubChem CID87428070
Molecular FormulaC20H30O8
Molecular Weight398.45 g/mol
Exact Mass398.19
IUPAC Namemethyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate;oxolan-2-ylmethyl prop-2-enoate
SMILESC=C(C)C(=O)OC.C=C(C)C(=O)OCC1CO1.C=CC(=O)OCC1CCCO1
InChIInChI=1S/C8H12O3.C7H10O3.C5H8O2/c1-2-8(9)11-6-7-4-3-5-10-7;1-5(2)7(8)10-4-6-3-9-6;1-4(2)5(6)7-3/h2,7H,1,3-6H2;6H,1,3-4H2,2H3;1H2,2-3H3
InChIKeyVDWVFLFUQHBFFQ-UHFFFAOYSA-N
XLogP2.13
TPSA100.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.45
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze methyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate;oxolan-2-ylmethyl prop-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

[(2R)-oxolan-2-yl]methyl prop-2-enoate
CID 736022
1,1-dichloroethene;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;oxiran-2-ylmethyl prop-2-enoate
CID 157375556
ethene;oxolan-2-ylmethyl prop-2-enoate
CID 70419708
ethanol;oxolan-2-ylmethyl 2-methylprop-2-enoate
CID 67764408
[(2R)-oxiran-2-yl]methyl 2-methylprop-2-enoate
CID 904806
butyl 2-methylprop-2-enoate;oxiran-2-ylmethyl prop-2-enoate
CID 88777427
2-methylidenebutanoic acid;oxolan-2-ylmethyl prop-2-enoate
CID 175439549
1-morpholin-2-ylprop-2-en-1-one;oxolan-2-ylmethyl 2-methylprop-2-enoate
CID 174809391
methane;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87151920
oxetan-2-ylmethyl prop-2-enoate
CID 23067256
formaldehyde;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 159353031
2-hydroxyethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 86750009

Frequently Asked Questions

What is the IUPAC name of methyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate;oxolan-2-ylmethyl prop-2-enoate?
The IUPAC name of methyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate;oxolan-2-ylmethyl prop-2-enoate (CID 87428070) is methyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate;oxolan-2-ylmethyl prop-2-enoate.
What is the SMILES notation for methyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate;oxolan-2-ylmethyl prop-2-enoate?
The canonical SMILES for methyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate;oxolan-2-ylmethyl prop-2-enoate is C=C(C)C(=O)OC.C=C(C)C(=O)OCC1CO1.C=CC(=O)OCC1CCCO1.
What is the InChIKey of methyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate;oxolan-2-ylmethyl prop-2-enoate?
The InChIKey is VDWVFLFUQHBFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3.C7H10O3.C5H8O2/c1-2-8(9)11-6-7-4-3-5-10-7;1-5(2)7(8)10-4-6-3-9-6;1-4(2)5(6)7-3/h2,7H,1,3-6H2;6H,1,3-4H2,2H3;1H2,2-3H3.
What are the key properties of methyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate;oxolan-2-ylmethyl prop-2-enoate?
methyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate;oxolan-2-ylmethyl prop-2-enoate has a molecular weight of 398.45 g/mol, XLogP of 2.13, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate;oxolan-2-ylmethyl prop-2-enoate is sourced from PubChem (CID 87428070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).