(5E,7Z)-dodeca-5,7-dienal

C12H20O — CID 11401124

IUPAC(5E,7Z)-dodeca-5,7-dienal
SMILESCCCC/C=C\C=C\CCCC=O
InChIInChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h5-8,12H,2-4,9-11H2,1H3/b6-5-,8-7+
InChIKeyLDQDYNHCLZNOFB-IGTJQSIKSA-N
MW180.29 g/mol
LogP3.66
Rot. Bonds8

About (5E,7Z)-dodeca-5,7-dienal

(5E,7Z)-dodeca-5,7-dienal (PubChem CID 11401124) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (5E,7Z)-dodeca-5,7-dienal.

Molecular Properties

Compound Name(5E,7Z)-dodeca-5,7-dienal
PubChem CID11401124
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(5E,7Z)-dodeca-5,7-dienal
SMILESCCCC/C=C\C=C\CCCC=O
InChIInChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h5-8,12H,2-4,9-11H2,1H3/b6-5-,8-7+
InChIKeyLDQDYNHCLZNOFB-IGTJQSIKSA-N
XLogP3.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.66
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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Frequently Asked Questions

What is the IUPAC name of (5E,7Z)-dodeca-5,7-dienal?
The IUPAC name of (5E,7Z)-dodeca-5,7-dienal (CID 11401124) is (5E,7Z)-dodeca-5,7-dienal.
What is the SMILES notation for (5E,7Z)-dodeca-5,7-dienal?
The canonical SMILES for (5E,7Z)-dodeca-5,7-dienal is CCCC/C=C\C=C\CCCC=O.
What is the InChIKey of (5E,7Z)-dodeca-5,7-dienal?
The InChIKey is LDQDYNHCLZNOFB-IGTJQSIKSA-N. The full InChI is InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h5-8,12H,2-4,9-11H2,1H3/b6-5-,8-7+.
What are the key properties of (5E,7Z)-dodeca-5,7-dienal?
(5E,7Z)-dodeca-5,7-dienal has a molecular weight of 180.29 g/mol, XLogP of 3.66, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7Z)-dodeca-5,7-dienal is sourced from PubChem (CID 11401124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).