4-methylidenehex-5-enal

C7H10O — CID 548982

IUPAC4-methylidenehex-5-enal
SMILESC=CC(=C)CCC=O
InChIInChI=1S/C7H10O/c1-3-7(2)5-4-6-8/h3,6H,1-2,4-5H2
InChIKeyGTQGBVLUEUNXCG-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.71
Rot. Bonds4

About 4-methylidenehex-5-enal

4-methylidenehex-5-enal (PubChem CID 548982) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is 4-methylidenehex-5-enal.

Molecular Properties

Compound Name4-methylidenehex-5-enal
PubChem CID548982
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name4-methylidenehex-5-enal
SMILESC=CC(=C)CCC=O
InChIInChI=1S/C7H10O/c1-3-7(2)5-4-6-8/h3,6H,1-2,4-5H2
InChIKeyGTQGBVLUEUNXCG-UHFFFAOYSA-N
XLogP1.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.71
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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Frequently Asked Questions

What is the IUPAC name of 4-methylidenehex-5-enal?
The IUPAC name of 4-methylidenehex-5-enal (CID 548982) is 4-methylidenehex-5-enal.
What is the SMILES notation for 4-methylidenehex-5-enal?
The canonical SMILES for 4-methylidenehex-5-enal is C=CC(=C)CCC=O.
What is the InChIKey of 4-methylidenehex-5-enal?
The InChIKey is GTQGBVLUEUNXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c1-3-7(2)5-4-6-8/h3,6H,1-2,4-5H2.
What are the key properties of 4-methylidenehex-5-enal?
4-methylidenehex-5-enal has a molecular weight of 110.16 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidenehex-5-enal is sourced from PubChem (CID 548982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).