hepta-2,4-dienal

C7H10O — CID 20307

IUPAChepta-2,4-dienal
SMILESCCC=CC=CC=O
InChIInChI=1S/C7H10O/c1-2-3-4-5-6-7-8/h3-7H,2H2,1H3
InChIKeySATICYYAWWYRAM-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.71
Rot. Bonds3

About hepta-2,4-dienal

hepta-2,4-dienal (PubChem CID 20307) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is hepta-2,4-dienal.

Molecular Properties

Compound Namehepta-2,4-dienal
PubChem CID20307
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Namehepta-2,4-dienal
SMILESCCC=CC=CC=O
InChIInChI=1S/C7H10O/c1-2-3-4-5-6-7-8/h3-7H,2H2,1H3
InChIKeySATICYYAWWYRAM-UHFFFAOYSA-N
XLogP1.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

trans-2-Hexenal
CID 5281168
2-Heptenal
CID 5283316
2,4-Decadienal
CID 5283349
2,4-Hexadienal
CID 637564
(E)-2-Pentenal
CID 5364752
(2Z,4E)-Nona-2,4-Dienal
CID 6428555
trans-2,cis-6-Nonadienal
CID 643731
2,4-Heptadienal
CID 5283321
Hexenal
CID 10460
2,4-Octadienal, (2E,4E)-
CID 5283329
Nona-2,4-dienal
CID 23203
2,4-Nonadienal
CID 5283339

Frequently Asked Questions

What is the IUPAC name of hepta-2,4-dienal?
The IUPAC name of hepta-2,4-dienal (CID 20307) is hepta-2,4-dienal.
What is the SMILES notation for hepta-2,4-dienal?
The canonical SMILES for hepta-2,4-dienal is CCC=CC=CC=O.
What is the InChIKey of hepta-2,4-dienal?
The InChIKey is SATICYYAWWYRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c1-2-3-4-5-6-7-8/h3-7H,2H2,1H3.
What are the key properties of hepta-2,4-dienal?
hepta-2,4-dienal has a molecular weight of 110.16 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hepta-2,4-dienal is sourced from PubChem (CID 20307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).