3-hydroxytetradeca-4,6,8,10,12-pentaynoic acid

C14H8O3 — CID 71345306

IUPAC3-hydroxytetradeca-4,6,8,10,12-pentaynoic acid
SMILESCC#CC#CC#CC#CC#CC(O)CC(=O)O
InChIInChI=1S/C14H8O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17/h13,15H,12H2,1H3,(H,16,17)
InChIKeyRCGVOJHPBDGFFL-UHFFFAOYSA-N
MW224.21 g/mol
LogP-0.14
Rot. Bonds2

About 3-hydroxytetradeca-4,6,8,10,12-pentaynoic acid

3-hydroxytetradeca-4,6,8,10,12-pentaynoic acid (PubChem CID 71345306) has the molecular formula C14H8O3 and a molecular weight of 224.21 g/mol. Its IUPAC name is 3-hydroxytetradeca-4,6,8,10,12-pentaynoic acid.

Molecular Properties

Compound Name3-hydroxytetradeca-4,6,8,10,12-pentaynoic acid
PubChem CID71345306
Molecular FormulaC14H8O3
Molecular Weight224.21 g/mol
Exact Mass224.05
IUPAC Name3-hydroxytetradeca-4,6,8,10,12-pentaynoic acid
SMILESCC#CC#CC#CC#CC#CC(O)CC(=O)O
InChIInChI=1S/C14H8O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17/h13,15H,12H2,1H3,(H,16,17)
InChIKeyRCGVOJHPBDGFFL-UHFFFAOYSA-N
XLogP-0.14
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxytetradeca-4,6,8,10,12-pentaynoic acid?
The IUPAC name of 3-hydroxytetradeca-4,6,8,10,12-pentaynoic acid (CID 71345306) is 3-hydroxytetradeca-4,6,8,10,12-pentaynoic acid.
What is the SMILES notation for 3-hydroxytetradeca-4,6,8,10,12-pentaynoic acid?
The canonical SMILES for 3-hydroxytetradeca-4,6,8,10,12-pentaynoic acid is CC#CC#CC#CC#CC#CC(O)CC(=O)O.
What is the InChIKey of 3-hydroxytetradeca-4,6,8,10,12-pentaynoic acid?
The InChIKey is RCGVOJHPBDGFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17/h13,15H,12H2,1H3,(H,16,17).
What are the key properties of 3-hydroxytetradeca-4,6,8,10,12-pentaynoic acid?
3-hydroxytetradeca-4,6,8,10,12-pentaynoic acid has a molecular weight of 224.21 g/mol, XLogP of -0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxytetradeca-4,6,8,10,12-pentaynoic acid is sourced from PubChem (CID 71345306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).