methyl undeca-5,9-dienoate

C12H20O2 — CID 57288687

IUPACmethyl undeca-5,9-dienoate
SMILESCC=CCCC=CCCCC(=O)OC
InChIInChI=1S/C12H20O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3-4,7-8H,5-6,9-11H2,1-2H3
InChIKeyQUDQWBXTUCGLFO-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.24
Rot. Bonds7

About methyl undeca-5,9-dienoate

methyl undeca-5,9-dienoate (PubChem CID 57288687) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is methyl undeca-5,9-dienoate.

Molecular Properties

Compound Namemethyl undeca-5,9-dienoate
PubChem CID57288687
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Namemethyl undeca-5,9-dienoate
SMILESCC=CCCC=CCCCC(=O)OC
InChIInChI=1S/C12H20O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3-4,7-8H,5-6,9-11H2,1-2H3
InChIKeyQUDQWBXTUCGLFO-UHFFFAOYSA-N
XLogP3.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (Z)-7-hydroxyhept-5-enoate
CID 15586879
methyl dec-5-enoate
CID 54534253
dimethyl (E)-triacont-15-enedioate
CID 10767955
methyl 7-chlorohept-5-enoate
CID 54573393
methyl (Z)-undec-5-enoate
CID 11469683
methyl dodec-5-enoate
CID 86010951
methyl (5E)-undeca-5,10-dienoate
CID 102118350
dimethyl (E)-non-3-enedioate
CID 14690983
(5Z,8Z,11Z,14Z)-19-methoxy-19-oxononadeca-5,8,11,14-tetraenoic acid
CID 172653541
methyl (5Z,8Z,11Z,14Z)-16-bromohexadeca-5,8,11,14-tetraenoate
CID 143217033
methyl (5Z,8E)-9-iodonona-5,8-dienoate
CID 14464864
methyl (5E,8E)-undeca-5,8-dienoate
CID 102118348

Frequently Asked Questions

What is the IUPAC name of methyl undeca-5,9-dienoate?
The IUPAC name of methyl undeca-5,9-dienoate (CID 57288687) is methyl undeca-5,9-dienoate.
What is the SMILES notation for methyl undeca-5,9-dienoate?
The canonical SMILES for methyl undeca-5,9-dienoate is CC=CCCC=CCCCC(=O)OC.
What is the InChIKey of methyl undeca-5,9-dienoate?
The InChIKey is QUDQWBXTUCGLFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3-4,7-8H,5-6,9-11H2,1-2H3.
What are the key properties of methyl undeca-5,9-dienoate?
methyl undeca-5,9-dienoate has a molecular weight of 196.29 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl undeca-5,9-dienoate is sourced from PubChem (CID 57288687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).