ethyl (6Z,8E,10E)-dodeca-6,8,10-trienoate

C14H22O2 — CID 135043052

IUPACethyl (6Z,8E,10E)-dodeca-6,8,10-trienoate
SMILESC/C=C/C=C/C=C\CCCCC(=O)OCC
InChIInChI=1S/C14H22O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h3,5-9H,4,10-13H2,1-2H3/b5-3+,7-6+,9-8-
InChIKeyMEFBBICEZGACJN-TXGIOBMUSA-N
MW222.33 g/mol
LogP3.80
Rot. Bonds8

About ethyl (6Z,8E,10E)-dodeca-6,8,10-trienoate

ethyl (6Z,8E,10E)-dodeca-6,8,10-trienoate (PubChem CID 135043052) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is ethyl (6Z,8E,10E)-dodeca-6,8,10-trienoate.

Molecular Properties

Compound Nameethyl (6Z,8E,10E)-dodeca-6,8,10-trienoate
PubChem CID135043052
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Nameethyl (6Z,8E,10E)-dodeca-6,8,10-trienoate
SMILESC/C=C/C=C/C=C\CCCCC(=O)OCC
InChIInChI=1S/C14H22O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h3,5-9H,4,10-13H2,1-2H3/b5-3+,7-6+,9-8-
InChIKeyMEFBBICEZGACJN-TXGIOBMUSA-N
XLogP3.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (6Z,8E,10E)-dodeca-6,8,10-trienoate?
The IUPAC name of ethyl (6Z,8E,10E)-dodeca-6,8,10-trienoate (CID 135043052) is ethyl (6Z,8E,10E)-dodeca-6,8,10-trienoate.
What is the SMILES notation for ethyl (6Z,8E,10E)-dodeca-6,8,10-trienoate?
The canonical SMILES for ethyl (6Z,8E,10E)-dodeca-6,8,10-trienoate is C/C=C/C=C/C=C\CCCCC(=O)OCC.
What is the InChIKey of ethyl (6Z,8E,10E)-dodeca-6,8,10-trienoate?
The InChIKey is MEFBBICEZGACJN-TXGIOBMUSA-N. The full InChI is InChI=1S/C14H22O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h3,5-9H,4,10-13H2,1-2H3/b5-3+,7-6+,9-8-.
What are the key properties of ethyl (6Z,8E,10E)-dodeca-6,8,10-trienoate?
ethyl (6Z,8E,10E)-dodeca-6,8,10-trienoate has a molecular weight of 222.33 g/mol, XLogP of 3.80, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (6Z,8E,10E)-dodeca-6,8,10-trienoate is sourced from PubChem (CID 135043052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).