methyl 3-ethenoxy-2-methylidenebutanoate

C8H12O3 — CID 139891838

IUPACmethyl 3-ethenoxy-2-methylidenebutanoate
SMILESC=COC(C)C(=C)C(=O)OC
InChIInChI=1S/C8H12O3/c1-5-11-7(3)6(2)8(9)10-4/h5,7H,1-2H2,3-4H3
InChIKeyYBHARWRXCYXNEX-UHFFFAOYSA-N
MW156.18 g/mol
LogP1.26
Rot. Bonds4

About methyl 3-ethenoxy-2-methylidenebutanoate

methyl 3-ethenoxy-2-methylidenebutanoate (PubChem CID 139891838) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is methyl 3-ethenoxy-2-methylidenebutanoate.

Molecular Properties

Compound Namemethyl 3-ethenoxy-2-methylidenebutanoate
PubChem CID139891838
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Namemethyl 3-ethenoxy-2-methylidenebutanoate
SMILESC=COC(C)C(=C)C(=O)OC
InChIInChI=1S/C8H12O3/c1-5-11-7(3)6(2)8(9)10-4/h5,7H,1-2H2,3-4H3
InChIKeyYBHARWRXCYXNEX-UHFFFAOYSA-N
XLogP1.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 3-ethenoxy-2-methylidenebutanoate 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 methyl 3-ethenoxy-2-methylidenebutanoate?
The IUPAC name of methyl 3-ethenoxy-2-methylidenebutanoate (CID 139891838) is methyl 3-ethenoxy-2-methylidenebutanoate.
What is the SMILES notation for methyl 3-ethenoxy-2-methylidenebutanoate?
The canonical SMILES for methyl 3-ethenoxy-2-methylidenebutanoate is C=COC(C)C(=C)C(=O)OC.
What is the InChIKey of methyl 3-ethenoxy-2-methylidenebutanoate?
The InChIKey is YBHARWRXCYXNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-5-11-7(3)6(2)8(9)10-4/h5,7H,1-2H2,3-4H3.
What are the key properties of methyl 3-ethenoxy-2-methylidenebutanoate?
methyl 3-ethenoxy-2-methylidenebutanoate has a molecular weight of 156.18 g/mol, XLogP of 1.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethenoxy-2-methylidenebutanoate is sourced from PubChem (CID 139891838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).