2-methoxypent-4-enal

C6H10O2 — CID 88612662

IUPAC2-methoxypent-4-enal
SMILESC=CCC(C=O)OC
InChIInChI=1S/C6H10O2/c1-3-4-6(5-7)8-2/h3,5-6H,1,4H2,2H3
InChIKeyFIRVYBVGSCKVQC-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.78
Rot. Bonds4

About 2-methoxypent-4-enal

2-methoxypent-4-enal (PubChem CID 88612662) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 2-methoxypent-4-enal.

Molecular Properties

Compound Name2-methoxypent-4-enal
PubChem CID88612662
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name2-methoxypent-4-enal
SMILESC=CCC(C=O)OC
InChIInChI=1S/C6H10O2/c1-3-4-6(5-7)8-2/h3,5-6H,1,4H2,2H3
InChIKeyFIRVYBVGSCKVQC-UHFFFAOYSA-N
XLogP0.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.78
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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Related Compounds

Formyldihydrofuran
CID 19878863
2-Pent-4-en-2-yloxyacetaldehyde
CID 10419199
(2S)-2-methoxybut-3-enal
CID 11194297
2-Methoxy-2-methylpent-4-enal
CID 13201953
2-Methoxybut-3-enal
CID 57147295
2-[(2S)-pent-4-en-2-yl]oxyacetaldehyde
CID 90209244
(2R)-2-methoxy-2-methylpent-4-enal
CID 96005316
Bis(but-2-ene);2,3-dihydrofuran-2-carbaldehyde
CID 124155959
(2R)-2-prop-2-enoxypent-4-enal
CID 130672093
(2S)-2-prop-2-enoxypent-4-enal
CID 131095283
2-Ethoxy-3-oxopent-4-enal
CID 142628482
3-Methyl-2,3-dihydrofuran-2-carbaldehyde
CID 147059725

Frequently Asked Questions

What is the IUPAC name of 2-methoxypent-4-enal?
The IUPAC name of 2-methoxypent-4-enal (CID 88612662) is 2-methoxypent-4-enal.
What is the SMILES notation for 2-methoxypent-4-enal?
The canonical SMILES for 2-methoxypent-4-enal is C=CCC(C=O)OC.
What is the InChIKey of 2-methoxypent-4-enal?
The InChIKey is FIRVYBVGSCKVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-3-4-6(5-7)8-2/h3,5-6H,1,4H2,2H3.
What are the key properties of 2-methoxypent-4-enal?
2-methoxypent-4-enal has a molecular weight of 114.14 g/mol, XLogP of 0.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxypent-4-enal is sourced from PubChem (CID 88612662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).