4-hydroxydodec-2-ynoic acid

C12H20O3 — CID 2748034

IUPAC4-hydroxydodec-2-ynoic acid
SMILESCCCCCCCCC(O)C#CC(=O)O
InChIInChI=1S/C12H20O3/c1-2-3-4-5-6-7-8-11(13)9-10-12(14)15/h11,13H,2-8H2,1H3,(H,14,15)
InChIKeyNMNRCZPYMZJJDO-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.19
Rot. Bonds7

About 4-hydroxydodec-2-ynoic acid

4-hydroxydodec-2-ynoic acid (PubChem CID 2748034) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 4-hydroxydodec-2-ynoic acid.

Molecular Properties

Compound Name4-hydroxydodec-2-ynoic acid
PubChem CID2748034
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name4-hydroxydodec-2-ynoic acid
SMILESCCCCCCCCC(O)C#CC(=O)O
InChIInChI=1S/C12H20O3/c1-2-3-4-5-6-7-8-11(13)9-10-12(14)15/h11,13H,2-8H2,1H3,(H,14,15)
InChIKeyNMNRCZPYMZJJDO-UHFFFAOYSA-N
XLogP2.19
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
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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Frequently Asked Questions

What is the IUPAC name of 4-hydroxydodec-2-ynoic acid?
The IUPAC name of 4-hydroxydodec-2-ynoic acid (CID 2748034) is 4-hydroxydodec-2-ynoic acid.
What is the SMILES notation for 4-hydroxydodec-2-ynoic acid?
The canonical SMILES for 4-hydroxydodec-2-ynoic acid is CCCCCCCCC(O)C#CC(=O)O.
What is the InChIKey of 4-hydroxydodec-2-ynoic acid?
The InChIKey is NMNRCZPYMZJJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-2-3-4-5-6-7-8-11(13)9-10-12(14)15/h11,13H,2-8H2,1H3,(H,14,15).
What are the key properties of 4-hydroxydodec-2-ynoic acid?
4-hydroxydodec-2-ynoic acid has a molecular weight of 212.29 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxydodec-2-ynoic acid is sourced from PubChem (CID 2748034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).