ethoxyethane;prop-2-enyl 2-methylprop-2-enoate

C11H20O3 — CID 87074537

IUPACethoxyethane;prop-2-enyl 2-methylprop-2-enoate
SMILESC=CCOC(=O)C(=C)C.CCOCC
InChIInChI=1S/C7H10O2.C4H10O/c1-4-5-9-7(8)6(2)3;1-3-5-4-2/h4H,1-2,5H2,3H3;3-4H2,1-2H3
InChIKeyWZIKAWGPIHXBCJ-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.33
Rot. Bonds5

About ethoxyethane;prop-2-enyl 2-methylprop-2-enoate

ethoxyethane;prop-2-enyl 2-methylprop-2-enoate (PubChem CID 87074537) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is ethoxyethane;prop-2-enyl 2-methylprop-2-enoate.

Molecular Properties

Compound Nameethoxyethane;prop-2-enyl 2-methylprop-2-enoate
PubChem CID87074537
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Nameethoxyethane;prop-2-enyl 2-methylprop-2-enoate
SMILESC=CCOC(=O)C(=C)C.CCOCC
InChIInChI=1S/C7H10O2.C4H10O/c1-4-5-9-7(8)6(2)3;1-3-5-4-2/h4H,1-2,5H2,3H3;3-4H2,1-2H3
InChIKeyWZIKAWGPIHXBCJ-UHFFFAOYSA-N
XLogP2.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethoxyethane;prop-2-enyl 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

ethane-1,2-diol;ethoxyethane;bis(prop-1-ene);prop-2-enyl 2-methylprop-2-enoate
CID 173061128
2-methylbut-2-enoic acid;prop-2-enyl 2-methylprop-2-enoate
CID 173460089
methyl 2-hydroxyprop-2-enoate;prop-2-enyl 2-methylprop-2-enoate
CID 175307353
ethenol;ethyl 2-methylprop-2-enoate
CID 174606807
ethenyl butanoate;prop-2-enyl 2-methylprop-2-enoate
CID 174874911
1,4-bis(ethenyl)benzene;prop-2-enyl 2-methylprop-2-enoate
CID 174791645
ethyl 2-methylprop-2-enoate
CID 130475774
2-prop-2-enoxycarbonyloxyethyl 2-methylprop-2-enoate
CID 88775356
prop-2-enyl 2-methylidenebutanoate
CID 12684713
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 23189778
sodium ethyl 2-methylprop-2-enoate
CID 23346885
ethane;bis(ethyl 2-methylprop-2-enoate)
CID 146295289

Frequently Asked Questions

What is the IUPAC name of ethoxyethane;prop-2-enyl 2-methylprop-2-enoate?
The IUPAC name of ethoxyethane;prop-2-enyl 2-methylprop-2-enoate (CID 87074537) is ethoxyethane;prop-2-enyl 2-methylprop-2-enoate.
What is the SMILES notation for ethoxyethane;prop-2-enyl 2-methylprop-2-enoate?
The canonical SMILES for ethoxyethane;prop-2-enyl 2-methylprop-2-enoate is C=CCOC(=O)C(=C)C.CCOCC.
What is the InChIKey of ethoxyethane;prop-2-enyl 2-methylprop-2-enoate?
The InChIKey is WZIKAWGPIHXBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2.C4H10O/c1-4-5-9-7(8)6(2)3;1-3-5-4-2/h4H,1-2,5H2,3H3;3-4H2,1-2H3.
What are the key properties of ethoxyethane;prop-2-enyl 2-methylprop-2-enoate?
ethoxyethane;prop-2-enyl 2-methylprop-2-enoate has a molecular weight of 200.28 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxyethane;prop-2-enyl 2-methylprop-2-enoate is sourced from PubChem (CID 87074537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).