methyl (2E,7E,9E,11E)-tetradeca-2,7,9,11-tetraenoate

C15H22O2 — CID 24805993

IUPACmethyl (2E,7E,9E,11E)-tetradeca-2,7,9,11-tetraenoate
SMILESCC/C=C/C=C/C=C/CCC/C=C/C(=O)OC
InChIInChI=1S/C15H22O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h4-9,13-14H,3,10-12H2,1-2H3/b5-4+,7-6+,9-8+,14-13+
InChIKeySNKFIUHIRBELSC-FRUKVIPESA-N
MW234.34 g/mol
LogP3.96
Rot. Bonds8

About methyl (2E,7E,9E,11E)-tetradeca-2,7,9,11-tetraenoate

methyl (2E,7E,9E,11E)-tetradeca-2,7,9,11-tetraenoate (PubChem CID 24805993) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is methyl (2E,7E,9E,11E)-tetradeca-2,7,9,11-tetraenoate.

Molecular Properties

Compound Namemethyl (2E,7E,9E,11E)-tetradeca-2,7,9,11-tetraenoate
PubChem CID24805993
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Namemethyl (2E,7E,9E,11E)-tetradeca-2,7,9,11-tetraenoate
SMILESCC/C=C/C=C/C=C/CCC/C=C/C(=O)OC
InChIInChI=1S/C15H22O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h4-9,13-14H,3,10-12H2,1-2H3/b5-4+,7-6+,9-8+,14-13+
InChIKeySNKFIUHIRBELSC-FRUKVIPESA-N
XLogP3.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

methyl (2E,8E)-undeca-2,8-dienoate
CID 102118335
methyl pentadeca-2,4,9,12-tetraenoate
CID 71418279
methyl (2E,4E,6E)-undeca-2,4,6-trienoate
CID 21044545
methyl (E)-hept-2-enoate
CID 5368087
methyl (2E,4E)-octadeca-2,4,6-trienoate
CID 141180621
methyl (Z)-6-chlorohex-2-enoate
CID 12741273
methyl deca-2,4,6-trienoate
CID 57131946
methyl (4Z)-undeca-2,4-dienoate
CID 172824918
cyclopropane;methyl icosa-2,4,6,8,10-pentaenoate
CID 173004856
methyl (2E)-octadeca-2,17-dienoate
CID 11781391
methyl (2E,11E)-7-oxotetradeca-2,11,13-trienoate
CID 10868711
pentadeca-3,5,7,12-tetraene
CID 142697862

Frequently Asked Questions

What is the IUPAC name of methyl (2E,7E,9E,11E)-tetradeca-2,7,9,11-tetraenoate?
The IUPAC name of methyl (2E,7E,9E,11E)-tetradeca-2,7,9,11-tetraenoate (CID 24805993) is methyl (2E,7E,9E,11E)-tetradeca-2,7,9,11-tetraenoate.
What is the SMILES notation for methyl (2E,7E,9E,11E)-tetradeca-2,7,9,11-tetraenoate?
The canonical SMILES for methyl (2E,7E,9E,11E)-tetradeca-2,7,9,11-tetraenoate is CC/C=C/C=C/C=C/CCC/C=C/C(=O)OC.
What is the InChIKey of methyl (2E,7E,9E,11E)-tetradeca-2,7,9,11-tetraenoate?
The InChIKey is SNKFIUHIRBELSC-FRUKVIPESA-N. The full InChI is InChI=1S/C15H22O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h4-9,13-14H,3,10-12H2,1-2H3/b5-4+,7-6+,9-8+,14-13+.
What are the key properties of methyl (2E,7E,9E,11E)-tetradeca-2,7,9,11-tetraenoate?
methyl (2E,7E,9E,11E)-tetradeca-2,7,9,11-tetraenoate has a molecular weight of 234.34 g/mol, XLogP of 3.96, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E,7E,9E,11E)-tetradeca-2,7,9,11-tetraenoate is sourced from PubChem (CID 24805993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).