hepta-4,6-dienal

C7H10O — CID 71402896

IUPAChepta-4,6-dienal
SMILESC=CC=CCCC=O
InChIInChI=1S/C7H10O/c1-2-3-4-5-6-7-8/h2-4,7H,1,5-6H2
InChIKeyLRXHBCFIMDSOLD-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.71
Rot. Bonds4

About hepta-4,6-dienal

hepta-4,6-dienal (PubChem CID 71402896) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is hepta-4,6-dienal.

Molecular Properties

Compound Namehepta-4,6-dienal
PubChem CID71402896
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Namehepta-4,6-dienal
SMILESC=CC=CCCC=O
InChIInChI=1S/C7H10O/c1-2-3-4-5-6-7-8/h2-4,7H,1,5-6H2
InChIKeyLRXHBCFIMDSOLD-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-Hexenal
CID 643941
4-Heptenal, (4Z)-
CID 5362814
trans-4-Hexenal
CID 5283308
3-Hexenal
CID 643139
Hept-4-enal
CID 71590
4-Hexenal, (4Z)-
CID 11094547
4,7-Decadienal
CID 54099340
4-Heptenal, (4E)-
CID 5283318
(4E)-hepta-4,6-dienal
CID 5283322
4,7-Decadienal, (4Z,7Z)-
CID 53249445
Hex-3-enal
CID 23234
Pent-3-enal
CID 5463339

Frequently Asked Questions

What is the IUPAC name of hepta-4,6-dienal?
The IUPAC name of hepta-4,6-dienal (CID 71402896) is hepta-4,6-dienal.
What is the SMILES notation for hepta-4,6-dienal?
The canonical SMILES for hepta-4,6-dienal is C=CC=CCCC=O.
What is the InChIKey of hepta-4,6-dienal?
The InChIKey is LRXHBCFIMDSOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c1-2-3-4-5-6-7-8/h2-4,7H,1,5-6H2.
What are the key properties of hepta-4,6-dienal?
hepta-4,6-dienal 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 hepta-4,6-dienal is sourced from PubChem (CID 71402896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).