4-ethenyloxane-4-carbaldehyde

C8H12O2 — CID 139026317

IUPAC4-ethenyloxane-4-carbaldehyde
SMILESC=CC1(C=O)CCOCC1
InChIInChI=1S/C8H12O2/c1-2-8(7-9)3-5-10-6-4-8/h2,7H,1,3-6H2
InChIKeyPZUMXBICJQKMJC-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.17
Rot. Bonds2

About 4-ethenyloxane-4-carbaldehyde

4-ethenyloxane-4-carbaldehyde (PubChem CID 139026317) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 4-ethenyloxane-4-carbaldehyde.

Molecular Properties

Compound Name4-ethenyloxane-4-carbaldehyde
PubChem CID139026317
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name4-ethenyloxane-4-carbaldehyde
SMILESC=CC1(C=O)CCOCC1
InChIInChI=1S/C8H12O2/c1-2-8(7-9)3-5-10-6-4-8/h2,7H,1,3-6H2
InChIKeyPZUMXBICJQKMJC-UHFFFAOYSA-N
XLogP1.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyloxane-4-carbaldehyde?
The IUPAC name of 4-ethenyloxane-4-carbaldehyde (CID 139026317) is 4-ethenyloxane-4-carbaldehyde.
What is the SMILES notation for 4-ethenyloxane-4-carbaldehyde?
The canonical SMILES for 4-ethenyloxane-4-carbaldehyde is C=CC1(C=O)CCOCC1.
What is the InChIKey of 4-ethenyloxane-4-carbaldehyde?
The InChIKey is PZUMXBICJQKMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-2-8(7-9)3-5-10-6-4-8/h2,7H,1,3-6H2.
What are the key properties of 4-ethenyloxane-4-carbaldehyde?
4-ethenyloxane-4-carbaldehyde has a molecular weight of 140.18 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyloxane-4-carbaldehyde is sourced from PubChem (CID 139026317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).