3-pent-4-enoxypropanal

C8H14O2 — CID 79112959

IUPAC3-pent-4-enoxypropanal
SMILESC=CCCCOCCC=O
InChIInChI=1S/C8H14O2/c1-2-3-4-7-10-8-5-6-9/h2,6H,1,3-5,7-8H2
InChIKeyUYNFHDKSAXMUFZ-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.56
Rot. Bonds7

About 3-pent-4-enoxypropanal

3-pent-4-enoxypropanal (PubChem CID 79112959) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-pent-4-enoxypropanal.

Molecular Properties

Compound Name3-pent-4-enoxypropanal
PubChem CID79112959
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name3-pent-4-enoxypropanal
SMILESC=CCCCOCCC=O
InChIInChI=1S/C8H14O2/c1-2-3-4-7-10-8-5-6-9/h2,6H,1,3-5,7-8H2
InChIKeyUYNFHDKSAXMUFZ-UHFFFAOYSA-N
XLogP1.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-pent-4-enoxypropanal?
The IUPAC name of 3-pent-4-enoxypropanal (CID 79112959) is 3-pent-4-enoxypropanal.
What is the SMILES notation for 3-pent-4-enoxypropanal?
The canonical SMILES for 3-pent-4-enoxypropanal is C=CCCCOCCC=O.
What is the InChIKey of 3-pent-4-enoxypropanal?
The InChIKey is UYNFHDKSAXMUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-2-3-4-7-10-8-5-6-9/h2,6H,1,3-5,7-8H2.
What are the key properties of 3-pent-4-enoxypropanal?
3-pent-4-enoxypropanal has a molecular weight of 142.20 g/mol, XLogP of 1.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pent-4-enoxypropanal is sourced from PubChem (CID 79112959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).