propyl (E)-3-methoxy-2-(propoxymethyl)prop-2-enoate

C11H20O4 — CID 121222895

IUPACpropyl (E)-3-methoxy-2-(propoxymethyl)prop-2-enoate
SMILESCCCOC/C(=C\OC)C(=O)OCCC
InChIInChI=1S/C11H20O4/c1-4-6-14-9-10(8-13-3)11(12)15-7-5-2/h8H,4-7,9H2,1-3H3/b10-8+
InChIKeyQZEOKDQJOIDCCU-CSKARUKUSA-N
MW216.28 g/mol
LogP1.90
Rot. Bonds8

About propyl (E)-3-methoxy-2-(propoxymethyl)prop-2-enoate

propyl (E)-3-methoxy-2-(propoxymethyl)prop-2-enoate (PubChem CID 121222895) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is propyl (E)-3-methoxy-2-(propoxymethyl)prop-2-enoate.

Molecular Properties

Compound Namepropyl (E)-3-methoxy-2-(propoxymethyl)prop-2-enoate
PubChem CID121222895
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Namepropyl (E)-3-methoxy-2-(propoxymethyl)prop-2-enoate
SMILESCCCOC/C(=C\OC)C(=O)OCCC
InChIInChI=1S/C11H20O4/c1-4-6-14-9-10(8-13-3)11(12)15-7-5-2/h8H,4-7,9H2,1-3H3/b10-8+
InChIKeyQZEOKDQJOIDCCU-CSKARUKUSA-N
XLogP1.90
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 propyl (E)-3-methoxy-2-(propoxymethyl)prop-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 propyl (E)-3-methoxy-2-(propoxymethyl)prop-2-enoate?
The IUPAC name of propyl (E)-3-methoxy-2-(propoxymethyl)prop-2-enoate (CID 121222895) is propyl (E)-3-methoxy-2-(propoxymethyl)prop-2-enoate.
What is the SMILES notation for propyl (E)-3-methoxy-2-(propoxymethyl)prop-2-enoate?
The canonical SMILES for propyl (E)-3-methoxy-2-(propoxymethyl)prop-2-enoate is CCCOC/C(=C\OC)C(=O)OCCC.
What is the InChIKey of propyl (E)-3-methoxy-2-(propoxymethyl)prop-2-enoate?
The InChIKey is QZEOKDQJOIDCCU-CSKARUKUSA-N. The full InChI is InChI=1S/C11H20O4/c1-4-6-14-9-10(8-13-3)11(12)15-7-5-2/h8H,4-7,9H2,1-3H3/b10-8+.
What are the key properties of propyl (E)-3-methoxy-2-(propoxymethyl)prop-2-enoate?
propyl (E)-3-methoxy-2-(propoxymethyl)prop-2-enoate has a molecular weight of 216.28 g/mol, XLogP of 1.90, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl (E)-3-methoxy-2-(propoxymethyl)prop-2-enoate is sourced from PubChem (CID 121222895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).