ethenyl 5-(2-methylprop-2-enoyloxy)pent-4-enoate

C11H14O4 — CID 91543406

IUPACethenyl 5-(2-methylprop-2-enoyloxy)pent-4-enoate
SMILESC=COC(=O)CCC=COC(=O)C(=C)C
InChIInChI=1S/C11H14O4/c1-4-14-10(12)7-5-6-8-15-11(13)9(2)3/h4,6,8H,1-2,5,7H2,3H3
InChIKeyNWFPNCVEEVYNQR-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.09
Rot. Bonds6

About ethenyl 5-(2-methylprop-2-enoyloxy)pent-4-enoate

ethenyl 5-(2-methylprop-2-enoyloxy)pent-4-enoate (PubChem CID 91543406) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is ethenyl 5-(2-methylprop-2-enoyloxy)pent-4-enoate.

Molecular Properties

Compound Nameethenyl 5-(2-methylprop-2-enoyloxy)pent-4-enoate
PubChem CID91543406
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Nameethenyl 5-(2-methylprop-2-enoyloxy)pent-4-enoate
SMILESC=COC(=O)CCC=COC(=O)C(=C)C
InChIInChI=1S/C11H14O4/c1-4-14-10(12)7-5-6-8-15-11(13)9(2)3/h4,6,8H,1-2,5,7H2,3H3
InChIKeyNWFPNCVEEVYNQR-UHFFFAOYSA-N
XLogP2.09
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethenyl 5-(2-methylprop-2-enoyloxy)pent-4-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 ethenyl 5-(2-methylprop-2-enoyloxy)pent-4-enoate?
The IUPAC name of ethenyl 5-(2-methylprop-2-enoyloxy)pent-4-enoate (CID 91543406) is ethenyl 5-(2-methylprop-2-enoyloxy)pent-4-enoate.
What is the SMILES notation for ethenyl 5-(2-methylprop-2-enoyloxy)pent-4-enoate?
The canonical SMILES for ethenyl 5-(2-methylprop-2-enoyloxy)pent-4-enoate is C=COC(=O)CCC=COC(=O)C(=C)C.
What is the InChIKey of ethenyl 5-(2-methylprop-2-enoyloxy)pent-4-enoate?
The InChIKey is NWFPNCVEEVYNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-4-14-10(12)7-5-6-8-15-11(13)9(2)3/h4,6,8H,1-2,5,7H2,3H3.
What are the key properties of ethenyl 5-(2-methylprop-2-enoyloxy)pent-4-enoate?
ethenyl 5-(2-methylprop-2-enoyloxy)pent-4-enoate has a molecular weight of 210.23 g/mol, XLogP of 2.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 5-(2-methylprop-2-enoyloxy)pent-4-enoate is sourced from PubChem (CID 91543406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).