(10E,12E)-13-chlorotrideca-10,12-dienal

C13H21ClO — CID 102501798

IUPAC(10E,12E)-13-chlorotrideca-10,12-dienal
SMILESO=CCCCCCCCC/C=C/C=C/Cl
InChIInChI=1S/C13H21ClO/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-15/h6,8,10,12-13H,1-5,7,9,11H2/b8-6+,12-10+
InChIKeyQBBKBMCXSQXBAH-VTKKNFPDSA-N
MW228.76 g/mol
LogP4.61
Rot. Bonds10

About (10E,12E)-13-chlorotrideca-10,12-dienal

(10E,12E)-13-chlorotrideca-10,12-dienal (PubChem CID 102501798) has the molecular formula C13H21ClO and a molecular weight of 228.76 g/mol. Its IUPAC name is (10E,12E)-13-chlorotrideca-10,12-dienal.

Molecular Properties

Compound Name(10E,12E)-13-chlorotrideca-10,12-dienal
PubChem CID102501798
Molecular FormulaC13H21ClO
Molecular Weight228.76 g/mol
Exact Mass228.13
IUPAC Name(10E,12E)-13-chlorotrideca-10,12-dienal
SMILESO=CCCCCCCCC/C=C/C=C/Cl
InChIInChI=1S/C13H21ClO/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-15/h6,8,10,12-13H,1-5,7,9,11H2/b8-6+,12-10+
InChIKeyQBBKBMCXSQXBAH-VTKKNFPDSA-N
XLogP4.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.76
LogP ≤ 54.61
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

triaconta-9,17,19-trienedial
CID 54176799
(10E,12Z)-hexadeca-10,12-dienal
CID 10922550
dodec-2-enedial
CID 54372755
(7E,9E)-dodeca-7,9-dienal
CID 5368951
(11E)-hexadeca-11,13-dienal
CID 173074730
(1E,3E)-1-chlorododeca-1,3-diene
CID 15469424
(9Z,11E)-hexadeca-9,11-dienal
CID 11172431
(9Z,11E)-tetradeca-9,11-dienal
CID 10750891
(3E)-1-chlorodeca-1,3-diene
CID 177456739
(1E,3E)-1-chloronona-1,3-diene
CID 10964790
dodeca-9,11-dienal
CID 543135
(7E,11Z,13Z)-hexadeca-7,11,13-trienal
CID 87161506

Frequently Asked Questions

What is the IUPAC name of (10E,12E)-13-chlorotrideca-10,12-dienal?
The IUPAC name of (10E,12E)-13-chlorotrideca-10,12-dienal (CID 102501798) is (10E,12E)-13-chlorotrideca-10,12-dienal.
What is the SMILES notation for (10E,12E)-13-chlorotrideca-10,12-dienal?
The canonical SMILES for (10E,12E)-13-chlorotrideca-10,12-dienal is O=CCCCCCCCC/C=C/C=C/Cl.
What is the InChIKey of (10E,12E)-13-chlorotrideca-10,12-dienal?
The InChIKey is QBBKBMCXSQXBAH-VTKKNFPDSA-N. The full InChI is InChI=1S/C13H21ClO/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-15/h6,8,10,12-13H,1-5,7,9,11H2/b8-6+,12-10+.
What are the key properties of (10E,12E)-13-chlorotrideca-10,12-dienal?
(10E,12E)-13-chlorotrideca-10,12-dienal has a molecular weight of 228.76 g/mol, XLogP of 4.61, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (10E,12E)-13-chlorotrideca-10,12-dienal is sourced from PubChem (CID 102501798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).