2-ethenoxycarbonyloxyethyl 2-methylprop-2-enoate

C9H12O5 — CID 23187074

IUPAC2-ethenoxycarbonyloxyethyl 2-methylprop-2-enoate
SMILESC=COC(=O)OCCOC(=O)C(=C)C
InChIInChI=1S/C9H12O5/c1-4-12-9(11)14-6-5-13-8(10)7(2)3/h4H,1-2,5-6H2,3H3
InChIKeyQYWKGACXENPUKU-UHFFFAOYSA-N
MW200.19 g/mol
LogP1.40
Rot. Bonds5

About 2-ethenoxycarbonyloxyethyl 2-methylprop-2-enoate

2-ethenoxycarbonyloxyethyl 2-methylprop-2-enoate (PubChem CID 23187074) has the molecular formula C9H12O5 and a molecular weight of 200.19 g/mol. Its IUPAC name is 2-ethenoxycarbonyloxyethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-ethenoxycarbonyloxyethyl 2-methylprop-2-enoate
PubChem CID23187074
Molecular FormulaC9H12O5
Molecular Weight200.19 g/mol
Exact Mass200.07
IUPAC Name2-ethenoxycarbonyloxyethyl 2-methylprop-2-enoate
SMILESC=COC(=O)OCCOC(=O)C(=C)C
InChIInChI=1S/C9H12O5/c1-4-12-9(11)14-6-5-13-8(10)7(2)3/h4H,1-2,5-6H2,3H3
InChIKeyQYWKGACXENPUKU-UHFFFAOYSA-N
XLogP1.40
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-ethenoxycarbonyloxyethyl 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 2-ethenoxycarbonyloxyethyl 2-methylprop-2-enoate?
The IUPAC name of 2-ethenoxycarbonyloxyethyl 2-methylprop-2-enoate (CID 23187074) is 2-ethenoxycarbonyloxyethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-ethenoxycarbonyloxyethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-ethenoxycarbonyloxyethyl 2-methylprop-2-enoate is C=COC(=O)OCCOC(=O)C(=C)C.
What is the InChIKey of 2-ethenoxycarbonyloxyethyl 2-methylprop-2-enoate?
The InChIKey is QYWKGACXENPUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O5/c1-4-12-9(11)14-6-5-13-8(10)7(2)3/h4H,1-2,5-6H2,3H3.
What are the key properties of 2-ethenoxycarbonyloxyethyl 2-methylprop-2-enoate?
2-ethenoxycarbonyloxyethyl 2-methylprop-2-enoate has a molecular weight of 200.19 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxycarbonyloxyethyl 2-methylprop-2-enoate is sourced from PubChem (CID 23187074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).