(2E,6E,8E,10E)-5-oxododeca-2,6,8,10-tetraenal

C12H14O2 — CID 164671294

IUPAC(2E,6E,8E,10E)-5-oxododeca-2,6,8,10-tetraenal
SMILESC/C=C/C=C/C=C/C(=O)C/C=C/C=O
InChIInChI=1S/C12H14O2/c1-2-3-4-5-6-9-12(14)10-7-8-11-13/h2-9,11H,10H2,1H3/b3-2+,5-4+,8-7+,9-6+
InChIKeyLBXRZSNCXXYVOS-JMZQEZEBSA-N
MW190.24 g/mol
LogP2.39
Rot. Bonds6

About (2E,6E,8E,10E)-5-oxododeca-2,6,8,10-tetraenal

(2E,6E,8E,10E)-5-oxododeca-2,6,8,10-tetraenal (PubChem CID 164671294) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (2E,6E,8E,10E)-5-oxododeca-2,6,8,10-tetraenal.

Molecular Properties

Compound Name(2E,6E,8E,10E)-5-oxododeca-2,6,8,10-tetraenal
PubChem CID164671294
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name(2E,6E,8E,10E)-5-oxododeca-2,6,8,10-tetraenal
SMILESC/C=C/C=C/C=C/C(=O)C/C=C/C=O
InChIInChI=1S/C12H14O2/c1-2-3-4-5-6-9-12(14)10-7-8-11-13/h2-9,11H,10H2,1H3/b3-2+,5-4+,8-7+,9-6+
InChIKeyLBXRZSNCXXYVOS-JMZQEZEBSA-N
XLogP2.39
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2E,6E,8E,10E)-5-oxododeca-2,6,8,10-tetraenal?
The IUPAC name of (2E,6E,8E,10E)-5-oxododeca-2,6,8,10-tetraenal (CID 164671294) is (2E,6E,8E,10E)-5-oxododeca-2,6,8,10-tetraenal.
What is the SMILES notation for (2E,6E,8E,10E)-5-oxododeca-2,6,8,10-tetraenal?
The canonical SMILES for (2E,6E,8E,10E)-5-oxododeca-2,6,8,10-tetraenal is C/C=C/C=C/C=C/C(=O)C/C=C/C=O.
What is the InChIKey of (2E,6E,8E,10E)-5-oxododeca-2,6,8,10-tetraenal?
The InChIKey is LBXRZSNCXXYVOS-JMZQEZEBSA-N. The full InChI is InChI=1S/C12H14O2/c1-2-3-4-5-6-9-12(14)10-7-8-11-13/h2-9,11H,10H2,1H3/b3-2+,5-4+,8-7+,9-6+.
What are the key properties of (2E,6E,8E,10E)-5-oxododeca-2,6,8,10-tetraenal?
(2E,6E,8E,10E)-5-oxododeca-2,6,8,10-tetraenal has a molecular weight of 190.24 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E,8E,10E)-5-oxododeca-2,6,8,10-tetraenal is sourced from PubChem (CID 164671294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).