methyl (6Z,9Z,12Z)-15-hydroxypentadeca-6,9,12-trienoate

C16H26O3 — CID 66558829

IUPACmethyl (6Z,9Z,12Z)-15-hydroxypentadeca-6,9,12-trienoate
SMILESCOC(=O)CCCC/C=C\C/C=C\C/C=C\CCO
InChIInChI=1S/C16H26O3/c1-19-16(18)14-12-10-8-6-4-2-3-5-7-9-11-13-15-17/h3-6,9,11,17H,2,7-8,10,12-15H2,1H3/b5-3-,6-4-,11-9-
InChIKeyVLJCKWZSFZRQOD-XHZZGSEBSA-N
MW266.38 g/mol
LogP3.55
Rot. Bonds11

About methyl (6Z,9Z,12Z)-15-hydroxypentadeca-6,9,12-trienoate

methyl (6Z,9Z,12Z)-15-hydroxypentadeca-6,9,12-trienoate (PubChem CID 66558829) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is methyl (6Z,9Z,12Z)-15-hydroxypentadeca-6,9,12-trienoate.

Molecular Properties

Compound Namemethyl (6Z,9Z,12Z)-15-hydroxypentadeca-6,9,12-trienoate
PubChem CID66558829
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Namemethyl (6Z,9Z,12Z)-15-hydroxypentadeca-6,9,12-trienoate
SMILESCOC(=O)CCCC/C=C\C/C=C\C/C=C\CCO
InChIInChI=1S/C16H26O3/c1-19-16(18)14-12-10-8-6-4-2-3-5-7-9-11-13-15-17/h3-6,9,11,17H,2,7-8,10,12-15H2,1H3/b5-3-,6-4-,11-9-
InChIKeyVLJCKWZSFZRQOD-XHZZGSEBSA-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'}

Analyze methyl (6Z,9Z,12Z)-15-hydroxypentadeca-6,9,12-trienoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (7Z,10Z,13Z)-16-hydroxyhexadeca-7,10,13-trienoate
CID 66558754
methyl (5Z,8Z,11Z)-15-hydroxypentadeca-5,8,11-trienoate
CID 122579422
methyl dodeca-6,9-dienoate
CID 123311078
dimethyl (E)-triacont-15-enedioate
CID 10767955
methyl (6Z,9Z,12Z)-octadeca-6,9,12-trienoate;hydrochloride
CID 162316575
methyl hexadeca-9,12-dienoate
CID 549033
methyl icosa-8,11,14-trienoate
CID 519411
methyl (13Z,16E,19E)-docosa-13,16,19-trienoate
CID 53249236
methyl octadeca-6,9-dienoate
CID 549027
methyl (10E,13E,16E,19E)-docosa-10,13,16,19-tetraenoate
CID 10472831
methyl (8E,11E)-icosa-8,11-dienoate
CID 5365673
methyl (8Z,11Z,14Z)-octadeca-8,11,14-trienoate
CID 102177602

Frequently Asked Questions

What is the IUPAC name of methyl (6Z,9Z,12Z)-15-hydroxypentadeca-6,9,12-trienoate?
The IUPAC name of methyl (6Z,9Z,12Z)-15-hydroxypentadeca-6,9,12-trienoate (CID 66558829) is methyl (6Z,9Z,12Z)-15-hydroxypentadeca-6,9,12-trienoate.
What is the SMILES notation for methyl (6Z,9Z,12Z)-15-hydroxypentadeca-6,9,12-trienoate?
The canonical SMILES for methyl (6Z,9Z,12Z)-15-hydroxypentadeca-6,9,12-trienoate is COC(=O)CCCC/C=C\C/C=C\C/C=C\CCO.
What is the InChIKey of methyl (6Z,9Z,12Z)-15-hydroxypentadeca-6,9,12-trienoate?
The InChIKey is VLJCKWZSFZRQOD-XHZZGSEBSA-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/h3-6,9,11,17H,2,7-8,10,12-15H2,1H3/b5-3-,6-4-,11-9-.
What are the key properties of methyl (6Z,9Z,12Z)-15-hydroxypentadeca-6,9,12-trienoate?
methyl (6Z,9Z,12Z)-15-hydroxypentadeca-6,9,12-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 (6Z,9Z,12Z)-15-hydroxypentadeca-6,9,12-trienoate is sourced from PubChem (CID 66558829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).