7-hydroxydodec-5-ynoic acid

C12H20O3 — CID 169494808

IUPAC7-hydroxydodec-5-ynoic acid
SMILESCCCCCC(O)C#CCCCC(=O)O
InChIInChI=1S/C12H20O3/c1-2-3-5-8-11(13)9-6-4-7-10-12(14)15/h11,13H,2-5,7-8,10H2,1H3,(H,14,15)
InChIKeyABHJZYODKGQNQT-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.19
Rot. Bonds7

About 7-hydroxydodec-5-ynoic acid

7-hydroxydodec-5-ynoic acid (PubChem CID 169494808) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 7-hydroxydodec-5-ynoic acid.

Molecular Properties

Compound Name7-hydroxydodec-5-ynoic acid
PubChem CID169494808
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name7-hydroxydodec-5-ynoic acid
SMILESCCCCCC(O)C#CCCCC(=O)O
InChIInChI=1S/C12H20O3/c1-2-3-5-8-11(13)9-6-4-7-10-12(14)15/h11,13H,2-5,7-8,10H2,1H3,(H,14,15)
InChIKeyABHJZYODKGQNQT-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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Related Compounds

(6S)-6-hydroxydec-4-ynoic acid
CID 162981215
tetracos-13-yn-12-ol
CID 169488986
heptacos-10-yn-9-ol
CID 11058298
(14R)-14-hydroxyoctadeca-10,12-diynoic acid
CID 2337328
hexadec-5-ynoic acid
CID 15958429
(7S,9Z,12Z)-7-hydroxyoctadeca-9,12-dien-5-ynoic acid
CID 162849692
16-hydroxyoctadec-14-ynoic acid
CID 86215783
dodecane-1,1-diol;bis(dodecanoic acid)
CID 121388000
dodecane-1,1-diol;hexanedioic acid
CID 160695318
decanedioic acid;tetradecane-1,1-diol
CID 175902897
(7S,8S)-7,8-dihydroxytetradecanoic acid
CID 101332605
hexane-1,1-diol;tetradecanedioic acid
CID 175798727

Frequently Asked Questions

What is the IUPAC name of 7-hydroxydodec-5-ynoic acid?
The IUPAC name of 7-hydroxydodec-5-ynoic acid (CID 169494808) is 7-hydroxydodec-5-ynoic acid.
What is the SMILES notation for 7-hydroxydodec-5-ynoic acid?
The canonical SMILES for 7-hydroxydodec-5-ynoic acid is CCCCCC(O)C#CCCCC(=O)O.
What is the InChIKey of 7-hydroxydodec-5-ynoic acid?
The InChIKey is ABHJZYODKGQNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-2-3-5-8-11(13)9-6-4-7-10-12(14)15/h11,13H,2-5,7-8,10H2,1H3,(H,14,15).
What are the key properties of 7-hydroxydodec-5-ynoic acid?
7-hydroxydodec-5-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 7-hydroxydodec-5-ynoic acid is sourced from PubChem (CID 169494808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).