(2E)-2-(oxolan-3-ylidene)acetaldehyde

C6H8O2 — CID 115011048

IUPAC(2E)-2-(oxolan-3-ylidene)acetaldehyde
SMILESO=C/C=C1\CCOC1
InChIInChI=1S/C6H8O2/c7-3-1-6-2-4-8-5-6/h1,3H,2,4-5H2/b6-1+
InChIKeyBAKQEVWILROCQC-LZCJLJQNSA-N
MW112.13 g/mol
LogP0.53
Rot. Bonds1

About (2E)-2-(oxolan-3-ylidene)acetaldehyde

(2E)-2-(oxolan-3-ylidene)acetaldehyde (PubChem CID 115011048) has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol. Its IUPAC name is (2E)-2-(oxolan-3-ylidene)acetaldehyde.

Molecular Properties

Compound Name(2E)-2-(oxolan-3-ylidene)acetaldehyde
PubChem CID115011048
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
Exact Mass112.05
IUPAC Name(2E)-2-(oxolan-3-ylidene)acetaldehyde
SMILESO=C/C=C1\CCOC1
InChIInChI=1S/C6H8O2/c7-3-1-6-2-4-8-5-6/h1,3H,2,4-5H2/b6-1+
InChIKeyBAKQEVWILROCQC-LZCJLJQNSA-N
XLogP0.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(oxolan-3-ylidene)acetaldehyde?
The IUPAC name of (2E)-2-(oxolan-3-ylidene)acetaldehyde (CID 115011048) is (2E)-2-(oxolan-3-ylidene)acetaldehyde.
What is the SMILES notation for (2E)-2-(oxolan-3-ylidene)acetaldehyde?
The canonical SMILES for (2E)-2-(oxolan-3-ylidene)acetaldehyde is O=C/C=C1\CCOC1.
What is the InChIKey of (2E)-2-(oxolan-3-ylidene)acetaldehyde?
The InChIKey is BAKQEVWILROCQC-LZCJLJQNSA-N. The full InChI is InChI=1S/C6H8O2/c7-3-1-6-2-4-8-5-6/h1,3H,2,4-5H2/b6-1+.
What are the key properties of (2E)-2-(oxolan-3-ylidene)acetaldehyde?
(2E)-2-(oxolan-3-ylidene)acetaldehyde has a molecular weight of 112.13 g/mol, XLogP of 0.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(oxolan-3-ylidene)acetaldehyde is sourced from PubChem (CID 115011048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).