methyl (2E,8E)-undeca-2,8-dienoate

C12H20O2 — CID 102118335

IUPACmethyl (2E,8E)-undeca-2,8-dienoate
SMILESCC/C=C/CCCC/C=C/C(=O)OC
InChIInChI=1S/C12H20O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h4-5,10-11H,3,6-9H2,1-2H3/b5-4+,11-10+
InChIKeyLEKIQHCSHYRMBH-PMXBNEBOSA-N
MW196.29 g/mol
LogP3.24
Rot. Bonds7

About methyl (2E,8E)-undeca-2,8-dienoate

methyl (2E,8E)-undeca-2,8-dienoate (PubChem CID 102118335) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is methyl (2E,8E)-undeca-2,8-dienoate.

Molecular Properties

Compound Namemethyl (2E,8E)-undeca-2,8-dienoate
PubChem CID102118335
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Namemethyl (2E,8E)-undeca-2,8-dienoate
SMILESCC/C=C/CCCC/C=C/C(=O)OC
InChIInChI=1S/C12H20O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h4-5,10-11H,3,6-9H2,1-2H3/b5-4+,11-10+
InChIKeyLEKIQHCSHYRMBH-PMXBNEBOSA-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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-hept-2-enoate
CID 5368087
methyl (2E,7E,9E,11E)-tetradeca-2,7,9,11-tetraenoate
CID 24805993
(Z)-hexadec-9-enal;methyl (2E,11Z)-octadeca-2,11-dienoate
CID 157382791
methyl (2E)-octadeca-2,17-dienoate
CID 11781391
tert-butyl (2E,8E)-undeca-2,8-dienoate
CID 173151542
methyl (2Z,5Z,8Z,11Z,14Z,17Z)-icosa-2,5,8,11,14,17-hexaenoate
CID 10734062
methyl pentadeca-2,4,9,12-tetraenoate
CID 71418279
methyl 8-oxonon-2-enoate
CID 587965
carbon monoxide;iron;methyl (E)-octadec-2-enoate
CID 11080605
methyl (Z)-6-chlorohex-2-enoate
CID 12741273
dimethyl (2E,14E)-8,9-dihydroxyhexadeca-2,14-dienedioate
CID 15695640
dimethyl undec-2-enedioate
CID 71341268

Frequently Asked Questions

What is the IUPAC name of methyl (2E,8E)-undeca-2,8-dienoate?
The IUPAC name of methyl (2E,8E)-undeca-2,8-dienoate (CID 102118335) is methyl (2E,8E)-undeca-2,8-dienoate.
What is the SMILES notation for methyl (2E,8E)-undeca-2,8-dienoate?
The canonical SMILES for methyl (2E,8E)-undeca-2,8-dienoate is CC/C=C/CCCC/C=C/C(=O)OC.
What is the InChIKey of methyl (2E,8E)-undeca-2,8-dienoate?
The InChIKey is LEKIQHCSHYRMBH-PMXBNEBOSA-N. The full InChI is InChI=1S/C12H20O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h4-5,10-11H,3,6-9H2,1-2H3/b5-4+,11-10+.
What are the key properties of methyl (2E,8E)-undeca-2,8-dienoate?
methyl (2E,8E)-undeca-2,8-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 (2E,8E)-undeca-2,8-dienoate is sourced from PubChem (CID 102118335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).