(E)-undec-4-enal

C11H20O — CID 5283357

IUPAC(E)-undec-4-enal
SMILESCCCCCC/C=C/CCC=O
InChIInChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h7-8,11H,2-6,9-10H2,1H3/b8-7+
InChIKeyQGNDNDFXCNBMKI-BQYQJAHWSA-N
MW168.28 g/mol
LogP3.49
Rot. Bonds8

About (E)-undec-4-enal

(E)-undec-4-enal (PubChem CID 5283357) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (E)-undec-4-enal.

Molecular Properties

Compound Name(E)-undec-4-enal
PubChem CID5283357
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(E)-undec-4-enal
SMILESCCCCCC/C=C/CCC=O
InChIInChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h7-8,11H,2-6,9-10H2,1H3/b8-7+
InChIKeyQGNDNDFXCNBMKI-BQYQJAHWSA-N
XLogP3.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.49
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-undec-4-enal?
The IUPAC name of (E)-undec-4-enal (CID 5283357) is (E)-undec-4-enal.
What is the SMILES notation for (E)-undec-4-enal?
The canonical SMILES for (E)-undec-4-enal is CCCCCC/C=C/CCC=O.
What is the InChIKey of (E)-undec-4-enal?
The InChIKey is QGNDNDFXCNBMKI-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h7-8,11H,2-6,9-10H2,1H3/b8-7+.
What are the key properties of (E)-undec-4-enal?
(E)-undec-4-enal has a molecular weight of 168.28 g/mol, XLogP of 3.49, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-undec-4-enal is sourced from PubChem (CID 5283357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).