3-methylidenepent-4-enal

C6H8O — CID 10887834

IUPAC3-methylidenepent-4-enal
SMILESC=CC(=C)CC=O
InChIInChI=1S/C6H8O/c1-3-6(2)4-5-7/h3,5H,1-2,4H2
InChIKeyLIRIXHIUTBAAIL-UHFFFAOYSA-N
MW96.13 g/mol
LogP1.32
Rot. Bonds3

About 3-methylidenepent-4-enal

3-methylidenepent-4-enal (PubChem CID 10887834) has the molecular formula C6H8O and a molecular weight of 96.13 g/mol. Its IUPAC name is 3-methylidenepent-4-enal.

Molecular Properties

Compound Name3-methylidenepent-4-enal
PubChem CID10887834
Molecular FormulaC6H8O
Molecular Weight96.13 g/mol
Exact Mass96.06
IUPAC Name3-methylidenepent-4-enal
SMILESC=CC(=C)CC=O
InChIInChI=1S/C6H8O/c1-3-6(2)4-5-7/h3,5H,1-2,4H2
InChIKeyLIRIXHIUTBAAIL-UHFFFAOYSA-N
XLogP1.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Pentenal
CID 16418
2-Methylpent-4-enal
CID 521355
4-Methylene-5-hexenal
CID 548982
3-Methyl-4-pentenal
CID 15683
(3S)-3-methylpent-4-enal
CID 59787455
(2S)-2-methyl-4-pentenal
CID 10176097
(2R)-2-methylpent-4-enal
CID 11018811
2-Methylene-4-pentenal
CID 534293
InChI=1/C9H12O/c1-4-5-8(2)9(3)6-7-10/h4,7H,1-3,5-6H
CID 5323602
Vinyl-butyral
CID 9855453
Isoprene acetaldehyde
CID 20378089
2-Methylidenehex-5-enal
CID 53756826

Frequently Asked Questions

What is the IUPAC name of 3-methylidenepent-4-enal?
The IUPAC name of 3-methylidenepent-4-enal (CID 10887834) is 3-methylidenepent-4-enal.
What is the SMILES notation for 3-methylidenepent-4-enal?
The canonical SMILES for 3-methylidenepent-4-enal is C=CC(=C)CC=O.
What is the InChIKey of 3-methylidenepent-4-enal?
The InChIKey is LIRIXHIUTBAAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O/c1-3-6(2)4-5-7/h3,5H,1-2,4H2.
What are the key properties of 3-methylidenepent-4-enal?
3-methylidenepent-4-enal has a molecular weight of 96.13 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidenepent-4-enal is sourced from PubChem (CID 10887834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).