ethyl (5Z,7E)-dodeca-5,7-dienoate

C14H24O2 — CID 14633807

IUPACethyl (5Z,7E)-dodeca-5,7-dienoate
SMILESCCCC/C=C/C=C\CCCC(=O)OCC
InChIInChI=1S/C14H24O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h7-10H,3-6,11-13H2,1-2H3/b8-7+,10-9-
InChIKeyDQPDFMOSTLETIB-GOJKSUSPSA-N
MW224.34 g/mol
LogP4.02
Rot. Bonds9

About ethyl (5Z,7E)-dodeca-5,7-dienoate

ethyl (5Z,7E)-dodeca-5,7-dienoate (PubChem CID 14633807) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is ethyl (5Z,7E)-dodeca-5,7-dienoate.

Molecular Properties

Compound Nameethyl (5Z,7E)-dodeca-5,7-dienoate
PubChem CID14633807
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Nameethyl (5Z,7E)-dodeca-5,7-dienoate
SMILESCCCC/C=C/C=C\CCCC(=O)OCC
InChIInChI=1S/C14H24O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h7-10H,3-6,11-13H2,1-2H3/b8-7+,10-9-
InChIKeyDQPDFMOSTLETIB-GOJKSUSPSA-N
XLogP4.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 54.02
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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Related Compounds

ethyl octadeca-5,10,12-trienoate
CID 71346061
ethyl octadeca-9,11-dienoate
CID 71333061
ethyl (Z)-icos-9-enoate
CID 72941815
ethyl octadec-8-enoate
CID 71350628
ethyl (8E,10E)-dodeca-6,8,10-trienoate
CID 135026135
ethyl (9Z,11E)-12-trimethylsilyldodeca-9,11-dienoate
CID 100918359
CID 175771564
CID 175771564
ethyl (Z)-7-hydroxyhept-5-enoate
CID 10797277
ethyl (6E,9Z,12E)-octadeca-6,9,12-trienoate
CID 124933434
ethyl (6Z)-nona-6,8-dienoate
CID 11001790
heptyl octadeca-9,11,13-trienoate
CID 142761442
heptadecyl octadeca-9,11,13-trienoate
CID 168953218

Frequently Asked Questions

What is the IUPAC name of ethyl (5Z,7E)-dodeca-5,7-dienoate?
The IUPAC name of ethyl (5Z,7E)-dodeca-5,7-dienoate (CID 14633807) is ethyl (5Z,7E)-dodeca-5,7-dienoate.
What is the SMILES notation for ethyl (5Z,7E)-dodeca-5,7-dienoate?
The canonical SMILES for ethyl (5Z,7E)-dodeca-5,7-dienoate is CCCC/C=C/C=C\CCCC(=O)OCC.
What is the InChIKey of ethyl (5Z,7E)-dodeca-5,7-dienoate?
The InChIKey is DQPDFMOSTLETIB-GOJKSUSPSA-N. The full InChI is InChI=1S/C14H24O2/c1-3-5-6-7-8-9-10-11-12-13-14(15)16-4-2/h7-10H,3-6,11-13H2,1-2H3/b8-7+,10-9-.
What are the key properties of ethyl (5Z,7E)-dodeca-5,7-dienoate?
ethyl (5Z,7E)-dodeca-5,7-dienoate has a molecular weight of 224.34 g/mol, XLogP of 4.02, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5Z,7E)-dodeca-5,7-dienoate is sourced from PubChem (CID 14633807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).