(E)-3-(6-oxooxan-2-yl)prop-2-enal

C8H10O3 — CID 12653568

IUPAC(E)-3-(6-oxooxan-2-yl)prop-2-enal
SMILESO=C/C=C/C1CCCC(=O)O1
InChIInChI=1S/C8H10O3/c9-6-2-4-7-3-1-5-8(10)11-7/h2,4,6-7H,1,3,5H2/b4-2+
InChIKeyRCJOKQHNYYSHIB-DUXPYHPUSA-N
MW154.16 g/mol
LogP0.84
Rot. Bonds2

About (E)-3-(6-oxooxan-2-yl)prop-2-enal

(E)-3-(6-oxooxan-2-yl)prop-2-enal (PubChem CID 12653568) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is (E)-3-(6-oxooxan-2-yl)prop-2-enal.

Molecular Properties

Compound Name(E)-3-(6-oxooxan-2-yl)prop-2-enal
PubChem CID12653568
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name(E)-3-(6-oxooxan-2-yl)prop-2-enal
SMILESO=C/C=C/C1CCCC(=O)O1
InChIInChI=1S/C8H10O3/c9-6-2-4-7-3-1-5-8(10)11-7/h2,4,6-7H,1,3,5H2/b4-2+
InChIKeyRCJOKQHNYYSHIB-DUXPYHPUSA-N
XLogP0.84
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-(6-oxooxan-2-yl)prop-2-enal 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 (E)-3-(6-oxooxan-2-yl)prop-2-enal?
The IUPAC name of (E)-3-(6-oxooxan-2-yl)prop-2-enal (CID 12653568) is (E)-3-(6-oxooxan-2-yl)prop-2-enal.
What is the SMILES notation for (E)-3-(6-oxooxan-2-yl)prop-2-enal?
The canonical SMILES for (E)-3-(6-oxooxan-2-yl)prop-2-enal is O=C/C=C/C1CCCC(=O)O1.
What is the InChIKey of (E)-3-(6-oxooxan-2-yl)prop-2-enal?
The InChIKey is RCJOKQHNYYSHIB-DUXPYHPUSA-N. The full InChI is InChI=1S/C8H10O3/c9-6-2-4-7-3-1-5-8(10)11-7/h2,4,6-7H,1,3,5H2/b4-2+.
What are the key properties of (E)-3-(6-oxooxan-2-yl)prop-2-enal?
(E)-3-(6-oxooxan-2-yl)prop-2-enal has a molecular weight of 154.16 g/mol, XLogP of 0.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(6-oxooxan-2-yl)prop-2-enal is sourced from PubChem (CID 12653568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).