(E)-5-(methoxymethoxy)pent-2-enal

C7H12O3 — CID 5386711

IUPAC(E)-5-(methoxymethoxy)pent-2-enal
SMILESCOCOCC/C=C/C=O
InChIInChI=1S/C7H12O3/c1-9-7-10-6-4-2-3-5-8/h2-3,5H,4,6-7H2,1H3/b3-2+
InChIKeyZTDPLQPYEJNDFA-NSCUHMNNSA-N
MW144.17 g/mol
LogP0.75
Rot. Bonds6

About (E)-5-(methoxymethoxy)pent-2-enal

(E)-5-(methoxymethoxy)pent-2-enal (PubChem CID 5386711) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is (E)-5-(methoxymethoxy)pent-2-enal.

Molecular Properties

Compound Name(E)-5-(methoxymethoxy)pent-2-enal
PubChem CID5386711
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name(E)-5-(methoxymethoxy)pent-2-enal
SMILESCOCOCC/C=C/C=O
InChIInChI=1S/C7H12O3/c1-9-7-10-6-4-2-3-5-8/h2-3,5H,4,6-7H2,1H3/b3-2+
InChIKeyZTDPLQPYEJNDFA-NSCUHMNNSA-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-5-(methoxymethoxy)pent-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)-5-(methoxymethoxy)pent-2-enal?
The IUPAC name of (E)-5-(methoxymethoxy)pent-2-enal (CID 5386711) is (E)-5-(methoxymethoxy)pent-2-enal.
What is the SMILES notation for (E)-5-(methoxymethoxy)pent-2-enal?
The canonical SMILES for (E)-5-(methoxymethoxy)pent-2-enal is COCOCC/C=C/C=O.
What is the InChIKey of (E)-5-(methoxymethoxy)pent-2-enal?
The InChIKey is ZTDPLQPYEJNDFA-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H12O3/c1-9-7-10-6-4-2-3-5-8/h2-3,5H,4,6-7H2,1H3/b3-2+.
What are the key properties of (E)-5-(methoxymethoxy)pent-2-enal?
(E)-5-(methoxymethoxy)pent-2-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 (E)-5-(methoxymethoxy)pent-2-enal is sourced from PubChem (CID 5386711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).