methyl (3Z,6Z,9Z)-dodeca-3,6,9-trienoate

C13H20O2 — CID 121274529

IUPACmethyl (3Z,6Z,9Z)-dodeca-3,6,9-trienoate
SMILESCC/C=C\C/C=C\C/C=C\CC(=O)OC
InChIInChI=1S/C13H20O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h4-5,7-8,10-11H,3,6,9,12H2,1-2H3/b5-4-,8-7-,11-10-
InChIKeyGWMOXKKOTKUURW-YSTUJMKBSA-N
MW208.30 g/mol
LogP3.41
Rot. Bonds7

About methyl (3Z,6Z,9Z)-dodeca-3,6,9-trienoate

methyl (3Z,6Z,9Z)-dodeca-3,6,9-trienoate (PubChem CID 121274529) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is methyl (3Z,6Z,9Z)-dodeca-3,6,9-trienoate.

Molecular Properties

Compound Namemethyl (3Z,6Z,9Z)-dodeca-3,6,9-trienoate
PubChem CID121274529
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Namemethyl (3Z,6Z,9Z)-dodeca-3,6,9-trienoate
SMILESCC/C=C\C/C=C\C/C=C\CC(=O)OC
InChIInChI=1S/C13H20O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h4-5,7-8,10-11H,3,6,9,12H2,1-2H3/b5-4-,8-7-,11-10-
InChIKeyGWMOXKKOTKUURW-YSTUJMKBSA-N
XLogP3.41
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (3E,6E)-deca-3,6-dienoate
CID 18319379
methyl (3Z,6Z,9Z)-11-hydroxyundeca-3,6,9-trienoate
CID 118240850
methyl (3Z,6Z)-deca-3,6,9-trienoate
CID 118680106
ethyl (3Z,6Z)-nona-3,6-dienoate
CID 122667686
methyl (5E,8E)-undeca-5,8-dienoate
CID 102118348
methyl (4E,7E)-deca-4,7-dienoate
CID 102118317
methyl dodeca-6,9-dienoate
CID 123311078
methyl 3-oxooct-5-enoate
CID 85255461
methyl (13Z,16E,19E)-docosa-13,16,19-trienoate
CID 53249236
methyl (3E,6E)-octadeca-3,6-dienoate
CID 14122947
methyl (10E,13E,16E,19E)-docosa-10,13,16,19-tetraenoate
CID 10472831
methyl 11-methylicosa-5,8,11,14,17-pentaenoate
CID 123385546

Frequently Asked Questions

What is the IUPAC name of methyl (3Z,6Z,9Z)-dodeca-3,6,9-trienoate?
The IUPAC name of methyl (3Z,6Z,9Z)-dodeca-3,6,9-trienoate (CID 121274529) is methyl (3Z,6Z,9Z)-dodeca-3,6,9-trienoate.
What is the SMILES notation for methyl (3Z,6Z,9Z)-dodeca-3,6,9-trienoate?
The canonical SMILES for methyl (3Z,6Z,9Z)-dodeca-3,6,9-trienoate is CC/C=C\C/C=C\C/C=C\CC(=O)OC.
What is the InChIKey of methyl (3Z,6Z,9Z)-dodeca-3,6,9-trienoate?
The InChIKey is GWMOXKKOTKUURW-YSTUJMKBSA-N. The full InChI is InChI=1S/C13H20O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h4-5,7-8,10-11H,3,6,9,12H2,1-2H3/b5-4-,8-7-,11-10-.
What are the key properties of methyl (3Z,6Z,9Z)-dodeca-3,6,9-trienoate?
methyl (3Z,6Z,9Z)-dodeca-3,6,9-trienoate has a molecular weight of 208.30 g/mol, XLogP of 3.41, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3Z,6Z,9Z)-dodeca-3,6,9-trienoate is sourced from PubChem (CID 121274529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).