methyl (5Z,8Z,11Z)-15-hydroxypentadeca-5,8,11-trienoate

C16H26O3 — CID 122579422

IUPACmethyl (5Z,8Z,11Z)-15-hydroxypentadeca-5,8,11-trienoate
SMILESCOC(=O)CCC/C=C\C/C=C\C/C=C\CCCO
InChIInChI=1S/C16H26O3/c1-19-16(18)14-12-10-8-6-4-2-3-5-7-9-11-13-15-17/h2-3,6-9,17H,4-5,10-15H2,1H3/b3-2-,8-6-,9-7-
InChIKeyNUSMXQMQANDZBQ-MVOZTAHOSA-N
MW266.38 g/mol
LogP3.55
Rot. Bonds11

About methyl (5Z,8Z,11Z)-15-hydroxypentadeca-5,8,11-trienoate

methyl (5Z,8Z,11Z)-15-hydroxypentadeca-5,8,11-trienoate (PubChem CID 122579422) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is methyl (5Z,8Z,11Z)-15-hydroxypentadeca-5,8,11-trienoate.

Molecular Properties

Compound Namemethyl (5Z,8Z,11Z)-15-hydroxypentadeca-5,8,11-trienoate
PubChem CID122579422
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Namemethyl (5Z,8Z,11Z)-15-hydroxypentadeca-5,8,11-trienoate
SMILESCOC(=O)CCC/C=C\C/C=C\C/C=C\CCCO
InChIInChI=1S/C16H26O3/c1-19-16(18)14-12-10-8-6-4-2-3-5-7-9-11-13-15-17/h2-3,6-9,17H,4-5,10-15H2,1H3/b3-2-,8-6-,9-7-
InChIKeyNUSMXQMQANDZBQ-MVOZTAHOSA-N
XLogP3.55
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (6Z,9Z,12Z)-15-hydroxypentadeca-6,9,12-trienoate
CID 66558829
methyl (7Z,10Z,13Z)-16-hydroxyhexadeca-7,10,13-trienoate
CID 66558754
methyl (5Z,8Z,11Z,14Z)-16-bromohexadeca-5,8,11,14-tetraenoate
CID 143217033
methyl (5Z,8E)-9-iodonona-5,8-dienoate
CID 14464864
(5Z,8Z,11Z,14Z)-19-methoxy-19-oxononadeca-5,8,11,14-tetraenoic acid
CID 172653541
methyl (5E,8E)-undeca-5,8-dienoate
CID 102118348
methyl (5Z)-icosa-5,8,11,14-tetraenoate
CID 141409710
methyl (Z)-7-hydroxyhept-5-enoate
CID 15586879
methyl (5Z,8Z,11Z,14Z)-20-fluoroicosa-5,8,11,14-tetraenoate
CID 10449696
methyl dodeca-6,9-dienoate
CID 123311078
methyl (13Z,16E,19E)-docosa-13,16,19-trienoate
CID 53249236
methyl icosa-8,11,14-trienoate
CID 519411

Frequently Asked Questions

What is the IUPAC name of methyl (5Z,8Z,11Z)-15-hydroxypentadeca-5,8,11-trienoate?
The IUPAC name of methyl (5Z,8Z,11Z)-15-hydroxypentadeca-5,8,11-trienoate (CID 122579422) is methyl (5Z,8Z,11Z)-15-hydroxypentadeca-5,8,11-trienoate.
What is the SMILES notation for methyl (5Z,8Z,11Z)-15-hydroxypentadeca-5,8,11-trienoate?
The canonical SMILES for methyl (5Z,8Z,11Z)-15-hydroxypentadeca-5,8,11-trienoate is COC(=O)CCC/C=C\C/C=C\C/C=C\CCCO.
What is the InChIKey of methyl (5Z,8Z,11Z)-15-hydroxypentadeca-5,8,11-trienoate?
The InChIKey is NUSMXQMQANDZBQ-MVOZTAHOSA-N. The full InChI is InChI=1S/C16H26O3/c1-19-16(18)14-12-10-8-6-4-2-3-5-7-9-11-13-15-17/h2-3,6-9,17H,4-5,10-15H2,1H3/b3-2-,8-6-,9-7-.
What are the key properties of methyl (5Z,8Z,11Z)-15-hydroxypentadeca-5,8,11-trienoate?
methyl (5Z,8Z,11Z)-15-hydroxypentadeca-5,8,11-trienoate has a molecular weight of 266.38 g/mol, XLogP of 3.55, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5Z,8Z,11Z)-15-hydroxypentadeca-5,8,11-trienoate is sourced from PubChem (CID 122579422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).