5-(ethoxymethoxy)pent-2-enal

C8H14O3 — CID 175769986

IUPAC5-(ethoxymethoxy)pent-2-enal
SMILESCCOCOCCC=CC=O
InChIInChI=1S/C8H14O3/c1-2-10-8-11-7-5-3-4-6-9/h3-4,6H,2,5,7-8H2,1H3
InChIKeyNFQUUSDAAONPPS-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.14
Rot. Bonds7

About 5-(ethoxymethoxy)pent-2-enal

5-(ethoxymethoxy)pent-2-enal (PubChem CID 175769986) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 5-(ethoxymethoxy)pent-2-enal.

Molecular Properties

Compound Name5-(ethoxymethoxy)pent-2-enal
PubChem CID175769986
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name5-(ethoxymethoxy)pent-2-enal
SMILESCCOCOCCC=CC=O
InChIInChI=1S/C8H14O3/c1-2-10-8-11-7-5-3-4-6-9/h3-4,6H,2,5,7-8H2,1H3
InChIKeyNFQUUSDAAONPPS-UHFFFAOYSA-N
XLogP1.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.14
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'}

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Frequently Asked Questions

What is the IUPAC name of 5-(ethoxymethoxy)pent-2-enal?
The IUPAC name of 5-(ethoxymethoxy)pent-2-enal (CID 175769986) is 5-(ethoxymethoxy)pent-2-enal.
What is the SMILES notation for 5-(ethoxymethoxy)pent-2-enal?
The canonical SMILES for 5-(ethoxymethoxy)pent-2-enal is CCOCOCCC=CC=O.
What is the InChIKey of 5-(ethoxymethoxy)pent-2-enal?
The InChIKey is NFQUUSDAAONPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-2-10-8-11-7-5-3-4-6-9/h3-4,6H,2,5,7-8H2,1H3.
What are the key properties of 5-(ethoxymethoxy)pent-2-enal?
5-(ethoxymethoxy)pent-2-enal has a molecular weight of 158.20 g/mol, XLogP of 1.14, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethoxymethoxy)pent-2-enal is sourced from PubChem (CID 175769986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).