ethyl prop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate

C15H22O6 — CID 158035079

IUPACethyl prop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC(=O)C(=C)C.C=CC(=O)OCC
InChIInChI=1S/C10H14O4.C5H8O2/c1-7(2)9(11)13-5-6-14-10(12)8(3)4;1-3-5(6)7-4-2/h1,3,5-6H2,2,4H3;3H,1,4H2,2H3
InChIKeyFHQMEQWOONKKKK-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.96
Rot. Bonds7

About ethyl prop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate

ethyl prop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate (PubChem CID 158035079) has the molecular formula C15H22O6 and a molecular weight of 298.34 g/mol. Its IUPAC name is ethyl prop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Nameethyl prop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
PubChem CID158035079
Molecular FormulaC15H22O6
Molecular Weight298.34 g/mol
Exact Mass298.14
IUPAC Nameethyl prop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCOC(=O)C(=C)C.C=CC(=O)OCC
InChIInChI=1S/C10H14O4.C5H8O2/c1-7(2)9(11)13-5-6-14-10(12)8(3)4;1-3-5(6)7-4-2/h1,3,5-6H2,2,4H3;3H,1,4H2,2H3
InChIKeyFHQMEQWOONKKKK-UHFFFAOYSA-N
XLogP1.96
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl prop-2-enoate;2-(2-methylprop-2-enoyloxy)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

Frequently Asked Questions

What is the IUPAC name of ethyl prop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate?
The IUPAC name of ethyl prop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate (CID 158035079) is ethyl prop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for ethyl prop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate?
The canonical SMILES for ethyl prop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCOC(=O)C(=C)C.C=CC(=O)OCC.
What is the InChIKey of ethyl prop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate?
The InChIKey is FHQMEQWOONKKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4.C5H8O2/c1-7(2)9(11)13-5-6-14-10(12)8(3)4;1-3-5(6)7-4-2/h1,3,5-6H2,2,4H3;3H,1,4H2,2H3.
What are the key properties of ethyl prop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate?
ethyl prop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate has a molecular weight of 298.34 g/mol, XLogP of 1.96, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl prop-2-enoate;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 158035079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).