3-(methoxymethoxy)pent-4-enal

C7H12O3 — CID 130035780

IUPAC3-(methoxymethoxy)pent-4-enal
SMILESC=CC(CC=O)OCOC
InChIInChI=1S/C7H12O3/c1-3-7(4-5-8)10-6-9-2/h3,5,7H,1,4,6H2,2H3
InChIKeyJENJCDMIPKCIPW-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.75
Rot. Bonds6

About 3-(methoxymethoxy)pent-4-enal

3-(methoxymethoxy)pent-4-enal (PubChem CID 130035780) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 3-(methoxymethoxy)pent-4-enal.

Molecular Properties

Compound Name3-(methoxymethoxy)pent-4-enal
PubChem CID130035780
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name3-(methoxymethoxy)pent-4-enal
SMILESC=CC(CC=O)OCOC
InChIInChI=1S/C7H12O3/c1-3-7(4-5-8)10-6-9-2/h3,5,7H,1,4,6H2,2H3
InChIKeyJENJCDMIPKCIPW-UHFFFAOYSA-N
XLogP0.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethoxy)pent-4-enal?
The IUPAC name of 3-(methoxymethoxy)pent-4-enal (CID 130035780) is 3-(methoxymethoxy)pent-4-enal.
What is the SMILES notation for 3-(methoxymethoxy)pent-4-enal?
The canonical SMILES for 3-(methoxymethoxy)pent-4-enal is C=CC(CC=O)OCOC.
What is the InChIKey of 3-(methoxymethoxy)pent-4-enal?
The InChIKey is JENJCDMIPKCIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-3-7(4-5-8)10-6-9-2/h3,5,7H,1,4,6H2,2H3.
What are the key properties of 3-(methoxymethoxy)pent-4-enal?
3-(methoxymethoxy)pent-4-enal has a molecular weight of 144.17 g/mol, XLogP of 0.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethoxy)pent-4-enal is sourced from PubChem (CID 130035780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).