3-(4-oxopent-1-en-2-yloxy)propyl prop-2-enoate

C11H16O4 — CID 89370548

IUPAC3-(4-oxopent-1-en-2-yloxy)propyl prop-2-enoate
SMILESC=CC(=O)OCCCOC(=C)CC(C)=O
InChIInChI=1S/C11H16O4/c1-4-11(13)15-7-5-6-14-10(3)8-9(2)12/h4H,1,3,5-8H2,2H3
InChIKeyJSSCSBGHWRQDKR-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.62
Rot. Bonds8

About 3-(4-oxopent-1-en-2-yloxy)propyl prop-2-enoate

3-(4-oxopent-1-en-2-yloxy)propyl prop-2-enoate (PubChem CID 89370548) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 3-(4-oxopent-1-en-2-yloxy)propyl prop-2-enoate.

Molecular Properties

Compound Name3-(4-oxopent-1-en-2-yloxy)propyl prop-2-enoate
PubChem CID89370548
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name3-(4-oxopent-1-en-2-yloxy)propyl prop-2-enoate
SMILESC=CC(=O)OCCCOC(=C)CC(C)=O
InChIInChI=1S/C11H16O4/c1-4-11(13)15-7-5-6-14-10(3)8-9(2)12/h4H,1,3,5-8H2,2H3
InChIKeyJSSCSBGHWRQDKR-UHFFFAOYSA-N
XLogP1.62
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.62
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-oxopent-1-en-2-yloxy)propyl prop-2-enoate?
The IUPAC name of 3-(4-oxopent-1-en-2-yloxy)propyl prop-2-enoate (CID 89370548) is 3-(4-oxopent-1-en-2-yloxy)propyl prop-2-enoate.
What is the SMILES notation for 3-(4-oxopent-1-en-2-yloxy)propyl prop-2-enoate?
The canonical SMILES for 3-(4-oxopent-1-en-2-yloxy)propyl prop-2-enoate is C=CC(=O)OCCCOC(=C)CC(C)=O.
What is the InChIKey of 3-(4-oxopent-1-en-2-yloxy)propyl prop-2-enoate?
The InChIKey is JSSCSBGHWRQDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-4-11(13)15-7-5-6-14-10(3)8-9(2)12/h4H,1,3,5-8H2,2H3.
What are the key properties of 3-(4-oxopent-1-en-2-yloxy)propyl prop-2-enoate?
3-(4-oxopent-1-en-2-yloxy)propyl prop-2-enoate has a molecular weight of 212.24 g/mol, XLogP of 1.62, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-oxopent-1-en-2-yloxy)propyl prop-2-enoate is sourced from PubChem (CID 89370548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).