(9R)-9-hydroxytetradecanoic acid

C14H28O3 — CID 22822871

IUPAC(9R)-9-hydroxytetradecanoic acid
SMILESCCCCC[C@@H](O)CCCCCCCC(=O)O
InChIInChI=1S/C14H28O3/c1-2-3-7-10-13(15)11-8-5-4-6-9-12-14(16)17/h13,15H,2-12H2,1H3,(H,16,17)/t13-/m1/s1
InChIKeyKRUIJHPTWXBHHE-CYBMUJFWSA-N
MW244.37 g/mol
LogP3.74
Rot. Bonds12

About (9R)-9-hydroxytetradecanoic acid

(9R)-9-hydroxytetradecanoic acid (PubChem CID 22822871) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is (9R)-9-hydroxytetradecanoic acid.

Molecular Properties

Compound Name(9R)-9-hydroxytetradecanoic acid
PubChem CID22822871
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Name(9R)-9-hydroxytetradecanoic acid
SMILESCCCCC[C@@H](O)CCCCCCCC(=O)O
InChIInChI=1S/C14H28O3/c1-2-3-7-10-13(15)11-8-5-4-6-9-12-14(16)17/h13,15H,2-12H2,1H3,(H,16,17)/t13-/m1/s1
InChIKeyKRUIJHPTWXBHHE-CYBMUJFWSA-N
XLogP3.74
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

21-hydroxyheptacosanoic acid
CID 169277079
14-hydroxypentacosanoic acid
CID 169276940
12-hydroxyheptadecanoic acid
CID 15110021
9-hydroxytriacontanoic acid
CID 169277258
hexadecan-7-ol;octadecanoic acid
CID 174589795
9-hydroxyheptadecanoic acid
CID 86012010
11-hydroxydocosanoic acid
CID 86066603
(8S)-8-hydroxytetradecanoic acid
CID 123133458
(7S)-7-hydroxyoctadecanoic acid
CID 162672751
12-hydroxyheptacosanoic acid
CID 169276954
20-hydroxyoctacosanoic acid
CID 169277392
20-hydroxyheptacosanoic acid
CID 169277503

Frequently Asked Questions

What is the IUPAC name of (9R)-9-hydroxytetradecanoic acid?
The IUPAC name of (9R)-9-hydroxytetradecanoic acid (CID 22822871) is (9R)-9-hydroxytetradecanoic acid.
What is the SMILES notation for (9R)-9-hydroxytetradecanoic acid?
The canonical SMILES for (9R)-9-hydroxytetradecanoic acid is CCCCC[C@@H](O)CCCCCCCC(=O)O.
What is the InChIKey of (9R)-9-hydroxytetradecanoic acid?
The InChIKey is KRUIJHPTWXBHHE-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H28O3/c1-2-3-7-10-13(15)11-8-5-4-6-9-12-14(16)17/h13,15H,2-12H2,1H3,(H,16,17)/t13-/m1/s1.
What are the key properties of (9R)-9-hydroxytetradecanoic acid?
(9R)-9-hydroxytetradecanoic acid has a molecular weight of 244.37 g/mol, XLogP of 3.74, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-9-hydroxytetradecanoic acid is sourced from PubChem (CID 22822871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).