16-hydroxyhexadeca-5,8,11-triynoic acid

C16H20O3 — CID 123580508

IUPAC16-hydroxyhexadeca-5,8,11-triynoic acid
SMILESO=C(O)CCCC#CCC#CCC#CCCCCO
InChIInChI=1S/C16H20O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h17H,3-4,9-15H2,(H,18,19)
InChIKeyGWDXSCYOAGGVRY-UHFFFAOYSA-N
MW260.33 g/mol
LogP2.19
Rot. Bonds6

About 16-hydroxyhexadeca-5,8,11-triynoic acid

16-hydroxyhexadeca-5,8,11-triynoic acid (PubChem CID 123580508) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is 16-hydroxyhexadeca-5,8,11-triynoic acid.

Molecular Properties

Compound Name16-hydroxyhexadeca-5,8,11-triynoic acid
PubChem CID123580508
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name16-hydroxyhexadeca-5,8,11-triynoic acid
SMILESO=C(O)CCCC#CCC#CCC#CCCCCO
InChIInChI=1S/C16H20O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h17H,3-4,9-15H2,(H,18,19)
InChIKeyGWDXSCYOAGGVRY-UHFFFAOYSA-N
XLogP2.19
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

11-hydroxyundec-7-ynoic acid
CID 44576578
icosa-5,11,14-triynoic acid
CID 3082413
nonadeca-6,9,12-triyne-1,19-diol
CID 171715193
octadeca-6,9,12-triynoic acid
CID 5312682
tetracos-12-ynedioic acid
CID 14631215
octadeca-9,12-diynoic acid
CID 1931
icosa-4,16-diynedioic acid
CID 121000180
5-hydroxypentanoic acid
CID 25945
octadeca-4,7-diynoic acid
CID 5312649
tridec-9-ynoic acid
CID 5312723
hexadec-5-ynoic acid
CID 15958429
38-hydroxyoctatriacontanoic acid
CID 18981443

Frequently Asked Questions

What is the IUPAC name of 16-hydroxyhexadeca-5,8,11-triynoic acid?
The IUPAC name of 16-hydroxyhexadeca-5,8,11-triynoic acid (CID 123580508) is 16-hydroxyhexadeca-5,8,11-triynoic acid.
What is the SMILES notation for 16-hydroxyhexadeca-5,8,11-triynoic acid?
The canonical SMILES for 16-hydroxyhexadeca-5,8,11-triynoic acid is O=C(O)CCCC#CCC#CCC#CCCCCO.
What is the InChIKey of 16-hydroxyhexadeca-5,8,11-triynoic acid?
The InChIKey is GWDXSCYOAGGVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h17H,3-4,9-15H2,(H,18,19).
What are the key properties of 16-hydroxyhexadeca-5,8,11-triynoic acid?
16-hydroxyhexadeca-5,8,11-triynoic acid has a molecular weight of 260.33 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 16-hydroxyhexadeca-5,8,11-triynoic acid is sourced from PubChem (CID 123580508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).