(2E,4E,6E,8E,10E)-dodeca-2,4,6,8,10-pentaenedial

C12H12O2 — CID 102293194

IUPAC(2E,4E,6E,8E,10E)-dodeca-2,4,6,8,10-pentaenedial
SMILESO=C/C=C/C=C/C=C/C=C/C=C/C=O
InChIInChI=1S/C12H12O2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-12H/b2-1+,5-3+,6-4+,9-7+,10-8+
InChIKeyGSFZIVZFUOMYJF-CLQTYQDTSA-N
MW188.23 g/mol
LogP2.17
Rot. Bonds6

About (2E,4E,6E,8E,10E)-dodeca-2,4,6,8,10-pentaenedial

(2E,4E,6E,8E,10E)-dodeca-2,4,6,8,10-pentaenedial (PubChem CID 102293194) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is (2E,4E,6E,8E,10E)-dodeca-2,4,6,8,10-pentaenedial.

Molecular Properties

Compound Name(2E,4E,6E,8E,10E)-dodeca-2,4,6,8,10-pentaenedial
PubChem CID102293194
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name(2E,4E,6E,8E,10E)-dodeca-2,4,6,8,10-pentaenedial
SMILESO=C/C=C/C=C/C=C/C=C/C=C/C=O
InChIInChI=1S/C12H12O2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-12H/b2-1+,5-3+,6-4+,9-7+,10-8+
InChIKeyGSFZIVZFUOMYJF-CLQTYQDTSA-N
XLogP2.17
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.17
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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Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E,8E,10E)-dodeca-2,4,6,8,10-pentaenedial?
The IUPAC name of (2E,4E,6E,8E,10E)-dodeca-2,4,6,8,10-pentaenedial (CID 102293194) is (2E,4E,6E,8E,10E)-dodeca-2,4,6,8,10-pentaenedial.
What is the SMILES notation for (2E,4E,6E,8E,10E)-dodeca-2,4,6,8,10-pentaenedial?
The canonical SMILES for (2E,4E,6E,8E,10E)-dodeca-2,4,6,8,10-pentaenedial is O=C/C=C/C=C/C=C/C=C/C=C/C=O.
What is the InChIKey of (2E,4E,6E,8E,10E)-dodeca-2,4,6,8,10-pentaenedial?
The InChIKey is GSFZIVZFUOMYJF-CLQTYQDTSA-N. The full InChI is InChI=1S/C12H12O2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-12H/b2-1+,5-3+,6-4+,9-7+,10-8+.
What are the key properties of (2E,4E,6E,8E,10E)-dodeca-2,4,6,8,10-pentaenedial?
(2E,4E,6E,8E,10E)-dodeca-2,4,6,8,10-pentaenedial has a molecular weight of 188.23 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E,8E,10E)-dodeca-2,4,6,8,10-pentaenedial is sourced from PubChem (CID 102293194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).