(2E,4E,6E,8E,10E,12E)-tetradeca-2,4,6,8,10,12-hexaenedial

C14H14O2 — CID 6440797

IUPAC(2E,4E,6E,8E,10E,12E)-tetradeca-2,4,6,8,10,12-hexaenedial
SMILESO=C/C=C/C=C/C=C/C=C/C=C/C=C/C=O
InChIInChI=1S/C14H14O2/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16/h1-14H/b3-1+,4-2+,7-5+,8-6+,11-9+,12-10+
InChIKeyLSSFWUWIGASWGW-CZBFJCMTSA-N
MW214.26 g/mol
LogP2.72
Rot. Bonds7

About (2E,4E,6E,8E,10E,12E)-tetradeca-2,4,6,8,10,12-hexaenedial

(2E,4E,6E,8E,10E,12E)-tetradeca-2,4,6,8,10,12-hexaenedial (PubChem CID 6440797) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is (2E,4E,6E,8E,10E,12E)-tetradeca-2,4,6,8,10,12-hexaenedial.

Molecular Properties

Compound Name(2E,4E,6E,8E,10E,12E)-tetradeca-2,4,6,8,10,12-hexaenedial
PubChem CID6440797
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name(2E,4E,6E,8E,10E,12E)-tetradeca-2,4,6,8,10,12-hexaenedial
SMILESO=C/C=C/C=C/C=C/C=C/C=C/C=C/C=O
InChIInChI=1S/C14H14O2/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16/h1-14H/b3-1+,4-2+,7-5+,8-6+,11-9+,12-10+
InChIKeyLSSFWUWIGASWGW-CZBFJCMTSA-N
XLogP2.72
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.72
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,12E)-tetradeca-2,4,6,8,10,12-hexaenedial?
The IUPAC name of (2E,4E,6E,8E,10E,12E)-tetradeca-2,4,6,8,10,12-hexaenedial (CID 6440797) is (2E,4E,6E,8E,10E,12E)-tetradeca-2,4,6,8,10,12-hexaenedial.
What is the SMILES notation for (2E,4E,6E,8E,10E,12E)-tetradeca-2,4,6,8,10,12-hexaenedial?
The canonical SMILES for (2E,4E,6E,8E,10E,12E)-tetradeca-2,4,6,8,10,12-hexaenedial is O=C/C=C/C=C/C=C/C=C/C=C/C=C/C=O.
What is the InChIKey of (2E,4E,6E,8E,10E,12E)-tetradeca-2,4,6,8,10,12-hexaenedial?
The InChIKey is LSSFWUWIGASWGW-CZBFJCMTSA-N. The full InChI is InChI=1S/C14H14O2/c15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16/h1-14H/b3-1+,4-2+,7-5+,8-6+,11-9+,12-10+.
What are the key properties of (2E,4E,6E,8E,10E,12E)-tetradeca-2,4,6,8,10,12-hexaenedial?
(2E,4E,6E,8E,10E,12E)-tetradeca-2,4,6,8,10,12-hexaenedial has a molecular weight of 214.26 g/mol, XLogP of 2.72, 7 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,12E)-tetradeca-2,4,6,8,10,12-hexaenedial is sourced from PubChem (CID 6440797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).