16-hydroxyheptadeca-10,12,14-triynoic acid

C17H22O3 — CID 24740384

IUPAC16-hydroxyheptadeca-10,12,14-triynoic acid
SMILESCC(O)C#CC#CC#CCCCCCCCCC(=O)O
InChIInChI=1S/C17H22O3/c1-16(18)14-12-10-8-6-4-2-3-5-7-9-11-13-15-17(19)20/h16,18H,2-3,5,7,9,11,13,15H2,1H3,(H,19,20)
InChIKeyAQEARLQWZFKXBU-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.58
Rot. Bonds8

About 16-hydroxyheptadeca-10,12,14-triynoic acid

16-hydroxyheptadeca-10,12,14-triynoic acid (PubChem CID 24740384) has the molecular formula C17H22O3 and a molecular weight of 274.36 g/mol. Its IUPAC name is 16-hydroxyheptadeca-10,12,14-triynoic acid.

Molecular Properties

Compound Name16-hydroxyheptadeca-10,12,14-triynoic acid
PubChem CID24740384
Molecular FormulaC17H22O3
Molecular Weight274.36 g/mol
Exact Mass274.16
IUPAC Name16-hydroxyheptadeca-10,12,14-triynoic acid
SMILESCC(O)C#CC#CC#CCCCCCCCCC(=O)O
InChIInChI=1S/C17H22O3/c1-16(18)14-12-10-8-6-4-2-3-5-7-9-11-13-15-17(19)20/h16,18H,2-3,5,7,9,11,13,15H2,1H3,(H,19,20)
InChIKeyAQEARLQWZFKXBU-UHFFFAOYSA-N
XLogP2.58
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.58
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

tricosa-10,12-diynedioic acid
CID 3516470
(14R)-14-hydroxyoctadeca-10,12-diynoic acid
CID 2337328
heptacosa-10,12,17-triynedioic acid
CID 4107670
octadeca-8,10-diynoic acid
CID 5312666
hexadeca-11,13-diynoic acid
CID 87556166
hexacosa-11,13-diynoic acid
CID 71349846
pentacosa-6,8-diynoic acid
CID 101012403
hentriaconta-12,14-diynoic acid
CID 134916943
heptadeca-6,8-diynoic acid
CID 86161368
nonadeca-10,12-diynoic acid
CID 89160943
(E)-19-hydroxyicos-17-en-13,15-diynoic acid
CID 24740611
acetylene;pentacosa-10,12-diynoic acid
CID 157131898

Frequently Asked Questions

What is the IUPAC name of 16-hydroxyheptadeca-10,12,14-triynoic acid?
The IUPAC name of 16-hydroxyheptadeca-10,12,14-triynoic acid (CID 24740384) is 16-hydroxyheptadeca-10,12,14-triynoic acid.
What is the SMILES notation for 16-hydroxyheptadeca-10,12,14-triynoic acid?
The canonical SMILES for 16-hydroxyheptadeca-10,12,14-triynoic acid is CC(O)C#CC#CC#CCCCCCCCCC(=O)O.
What is the InChIKey of 16-hydroxyheptadeca-10,12,14-triynoic acid?
The InChIKey is AQEARLQWZFKXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O3/c1-16(18)14-12-10-8-6-4-2-3-5-7-9-11-13-15-17(19)20/h16,18H,2-3,5,7,9,11,13,15H2,1H3,(H,19,20).
What are the key properties of 16-hydroxyheptadeca-10,12,14-triynoic acid?
16-hydroxyheptadeca-10,12,14-triynoic acid has a molecular weight of 274.36 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 16-hydroxyheptadeca-10,12,14-triynoic acid is sourced from PubChem (CID 24740384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).