hepta-4,5-dienal

C7H10O — CID 10441663

IUPAChepta-4,5-dienal
SMILESCC=C=CCCC=O
InChIInChI=1S/C7H10O/c1-2-3-4-5-6-7-8/h2,4,7H,5-6H2,1H3
InChIKeyMQKREYOJVLXNID-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.70
Rot. Bonds3

About hepta-4,5-dienal

hepta-4,5-dienal (PubChem CID 10441663) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is hepta-4,5-dienal.

Molecular Properties

Compound Namehepta-4,5-dienal
PubChem CID10441663
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Namehepta-4,5-dienal
SMILESCC=C=CCCC=O
InChIInChI=1S/C7H10O/c1-2-3-4-5-6-7-8/h2,4,7H,5-6H2,1H3
InChIKeyMQKREYOJVLXNID-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hepta-4,5-dienal?
The IUPAC name of hepta-4,5-dienal (CID 10441663) is hepta-4,5-dienal.
What is the SMILES notation for hepta-4,5-dienal?
The canonical SMILES for hepta-4,5-dienal is CC=C=CCCC=O.
What is the InChIKey of hepta-4,5-dienal?
The InChIKey is MQKREYOJVLXNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c1-2-3-4-5-6-7-8/h2,4,7H,5-6H2,1H3.
What are the key properties of hepta-4,5-dienal?
hepta-4,5-dienal has a molecular weight of 110.16 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hepta-4,5-dienal is sourced from PubChem (CID 10441663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).