5-hydroxydecanoic acid

C20H40O6 — CID 161390265

IUPAC5-hydroxydecanoic acid
SMILESCCCCCC(O)CCCC(=O)O.CCCCCC(O)CCCC(=O)O
InChIInChI=1S/2C10H20O3/c2*1-2-3-4-6-9(11)7-5-8-10(12)13/h2*9,11H,2-8H2,1H3,(H,12,13)
InChIKeyVSWYOZCRTYPEIV-UHFFFAOYSA-N
MW376.53 g/mol
LogP4.36
Rot. Bonds16

About 5-hydroxydecanoic acid

5-hydroxydecanoic acid (PubChem CID 161390265) has the molecular formula C20H40O6 and a molecular weight of 376.53 g/mol. Its IUPAC name is 5-hydroxydecanoic acid.

Molecular Properties

Compound Name5-hydroxydecanoic acid
PubChem CID161390265
Molecular FormulaC20H40O6
Molecular Weight376.53 g/mol
Exact Mass376.28
IUPAC Name5-hydroxydecanoic acid
SMILESCCCCCC(O)CCCC(=O)O.CCCCCC(O)CCCC(=O)O
InChIInChI=1S/2C10H20O3/c2*1-2-3-4-6-9(11)7-5-8-10(12)13/h2*9,11H,2-8H2,1H3,(H,12,13)
InChIKeyVSWYOZCRTYPEIV-UHFFFAOYSA-N
XLogP4.36
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 54.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-hydroxydecanoic acid
CID 6604110
5-hydroxyhexadecanoic acid
CID 5312761
13-hydroxyoctadecanoic acid
CID 5282911
21-hydroxyheptacosanoic acid
CID 169277079
(9R)-9-hydroxytetradecanoic acid
CID 22822871
14-hydroxypentacosanoic acid
CID 169276940
12-hydroxyheptadecanoic acid
CID 15110021
9-hydroxytriacontanoic acid
CID 169277258
(8S)-8-hydroxytetradecanoic acid
CID 123133458
hexadecan-7-ol;octadecanoic acid
CID 174589795
9-hydroxyheptadecanoic acid
CID 86012010
11-hydroxydocosanoic acid
CID 86066603

Frequently Asked Questions

What is the IUPAC name of 5-hydroxydecanoic acid?
The IUPAC name of 5-hydroxydecanoic acid (CID 161390265) is 5-hydroxydecanoic acid.
What is the SMILES notation for 5-hydroxydecanoic acid?
The canonical SMILES for 5-hydroxydecanoic acid is CCCCCC(O)CCCC(=O)O.CCCCCC(O)CCCC(=O)O.
What is the InChIKey of 5-hydroxydecanoic acid?
The InChIKey is VSWYOZCRTYPEIV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H20O3/c2*1-2-3-4-6-9(11)7-5-8-10(12)13/h2*9,11H,2-8H2,1H3,(H,12,13).
What are the key properties of 5-hydroxydecanoic acid?
5-hydroxydecanoic acid has a molecular weight of 376.53 g/mol, XLogP of 4.36, 16 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxydecanoic acid is sourced from PubChem (CID 161390265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).