methyl (6E,8Z,10E,12E,15R)-5,15-dihydroxy-5-methylicosa-6,8,10,12-tetraenoate

C22H36O4 — CID 134358331

IUPACmethyl (6E,8Z,10E,12E,15R)-5,15-dihydroxy-5-methylicosa-6,8,10,12-tetraenoate
SMILESCCCCC[C@@H](O)C/C=C/C=C/C=C\C=C\C(C)(O)CCCC(=O)OC
InChIInChI=1S/C22H36O4/c1-4-5-11-15-20(23)16-12-9-7-6-8-10-13-18-22(2,25)19-14-17-21(24)26-3/h6-10,12-13,18,20,23,25H,4-5,11,14-17,19H2,1-3H3/b7-6+,10-8-,12-9+,18-13+/t20-,22?/m1/s1
InChIKeyIGZYSMXVBAIEON-SIFOQXNGSA-N
MW364.53 g/mol
LogP4.64
Rot. Bonds14

About methyl (6E,8Z,10E,12E,15R)-5,15-dihydroxy-5-methylicosa-6,8,10,12-tetraenoate

methyl (6E,8Z,10E,12E,15R)-5,15-dihydroxy-5-methylicosa-6,8,10,12-tetraenoate (PubChem CID 134358331) has the molecular formula C22H36O4 and a molecular weight of 364.53 g/mol. Its IUPAC name is methyl (6E,8Z,10E,12E,15R)-5,15-dihydroxy-5-methylicosa-6,8,10,12-tetraenoate.

Molecular Properties

Compound Namemethyl (6E,8Z,10E,12E,15R)-5,15-dihydroxy-5-methylicosa-6,8,10,12-tetraenoate
PubChem CID134358331
Molecular FormulaC22H36O4
Molecular Weight364.53 g/mol
Exact Mass364.26
IUPAC Namemethyl (6E,8Z,10E,12E,15R)-5,15-dihydroxy-5-methylicosa-6,8,10,12-tetraenoate
SMILESCCCCC[C@@H](O)C/C=C/C=C/C=C\C=C\C(C)(O)CCCC(=O)OC
InChIInChI=1S/C22H36O4/c1-4-5-11-15-20(23)16-12-9-7-6-8-10-13-18-22(2,25)19-14-17-21(24)26-3/h6-10,12-13,18,20,23,25H,4-5,11,14-17,19H2,1-3H3/b7-6+,10-8-,12-9+,18-13+/t20-,22?/m1/s1
InChIKeyIGZYSMXVBAIEON-SIFOQXNGSA-N
XLogP4.64
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (6E,8Z,10E,12E,15R)-5,15-dihydroxy-5-methylicosa-6,8,10,12-tetraenoate with MolForge

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Related Compounds

methyl (E)-9-hydroxytetradec-6-enoate
CID 156581365
methyl (Z,12R)-12-hydroxyoctadec-9-enoate
CID 5354133
CID 175883907
CID 175883907
methyl (12S,15S)-12,15-dihydroxydocosanoate
CID 10475282
methyl (6Z,8E,10E)-5,5-difluoro-12-hydroxyicosa-6,8,10-trienoate
CID 23237819
methyl (11S)-11-hydroxyhexadecanoate
CID 10493478
methyl 8-hydroxyhexadecanoate
CID 11323641
methyl 9-hydroxyoctadecanoate
CID 593159
methyl (9R)-9-hydroxydocosanoate
CID 134814034
methyl 5-hydroxydec-7-enoate
CID 175764045
methyl 4-hydroxyoctadecanoate
CID 559005
methyl (Z)-9-hydroxyoctadec-12-enoate
CID 13406970

Frequently Asked Questions

What is the IUPAC name of methyl (6E,8Z,10E,12E,15R)-5,15-dihydroxy-5-methylicosa-6,8,10,12-tetraenoate?
The IUPAC name of methyl (6E,8Z,10E,12E,15R)-5,15-dihydroxy-5-methylicosa-6,8,10,12-tetraenoate (CID 134358331) is methyl (6E,8Z,10E,12E,15R)-5,15-dihydroxy-5-methylicosa-6,8,10,12-tetraenoate.
What is the SMILES notation for methyl (6E,8Z,10E,12E,15R)-5,15-dihydroxy-5-methylicosa-6,8,10,12-tetraenoate?
The canonical SMILES for methyl (6E,8Z,10E,12E,15R)-5,15-dihydroxy-5-methylicosa-6,8,10,12-tetraenoate is CCCCC[C@@H](O)C/C=C/C=C/C=C\C=C\C(C)(O)CCCC(=O)OC.
What is the InChIKey of methyl (6E,8Z,10E,12E,15R)-5,15-dihydroxy-5-methylicosa-6,8,10,12-tetraenoate?
The InChIKey is IGZYSMXVBAIEON-SIFOQXNGSA-N. The full InChI is InChI=1S/C22H36O4/c1-4-5-11-15-20(23)16-12-9-7-6-8-10-13-18-22(2,25)19-14-17-21(24)26-3/h6-10,12-13,18,20,23,25H,4-5,11,14-17,19H2,1-3H3/b7-6+,10-8-,12-9+,18-13+/t20-,22?/m1/s1.
What are the key properties of methyl (6E,8Z,10E,12E,15R)-5,15-dihydroxy-5-methylicosa-6,8,10,12-tetraenoate?
methyl (6E,8Z,10E,12E,15R)-5,15-dihydroxy-5-methylicosa-6,8,10,12-tetraenoate has a molecular weight of 364.53 g/mol, XLogP of 4.64, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6E,8Z,10E,12E,15R)-5,15-dihydroxy-5-methylicosa-6,8,10,12-tetraenoate is sourced from PubChem (CID 134358331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).