5-hydroxytridecanedioic acid

C13H24O5 — CID 139805426

IUPAC5-hydroxytridecanedioic acid
SMILESO=C(O)CCCCCCCC(O)CCCC(=O)O
InChIInChI=1S/C13H24O5/c14-11(8-6-10-13(17)18)7-4-2-1-3-5-9-12(15)16/h11,14H,1-10H2,(H,15,16)(H,17,18)
InChIKeyIZZLYZKNDSWCGA-UHFFFAOYSA-N
MW260.33 g/mol
LogP2.42
Rot. Bonds12

About 5-hydroxytridecanedioic acid

5-hydroxytridecanedioic acid (PubChem CID 139805426) has the molecular formula C13H24O5 and a molecular weight of 260.33 g/mol. Its IUPAC name is 5-hydroxytridecanedioic acid.

Molecular Properties

Compound Name5-hydroxytridecanedioic acid
PubChem CID139805426
Molecular FormulaC13H24O5
Molecular Weight260.33 g/mol
Exact Mass260.16
IUPAC Name5-hydroxytridecanedioic acid
SMILESO=C(O)CCCCCCCC(O)CCCC(=O)O
InChIInChI=1S/C13H24O5/c14-11(8-6-10-13(17)18)7-4-2-1-3-5-9-12(15)16/h11,14H,1-10H2,(H,15,16)(H,17,18)
InChIKeyIZZLYZKNDSWCGA-UHFFFAOYSA-N
XLogP2.42
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(9S)-9,18-dihydroxyoctadecanoic acid
CID 163000133
21-hydroxypentacosanoic acid
CID 169277058
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
hexadecan-7-ol;octadecanoic acid
CID 174589795
9-hydroxyheptadecanoic acid
CID 86012010
11-hydroxydocosanoic acid
CID 86066603
(8S)-8-hydroxytetradecanoic acid
CID 123133458
5-hydroxyhexadecanoic acid
CID 5312761

Frequently Asked Questions

What is the IUPAC name of 5-hydroxytridecanedioic acid?
The IUPAC name of 5-hydroxytridecanedioic acid (CID 139805426) is 5-hydroxytridecanedioic acid.
What is the SMILES notation for 5-hydroxytridecanedioic acid?
The canonical SMILES for 5-hydroxytridecanedioic acid is O=C(O)CCCCCCCC(O)CCCC(=O)O.
What is the InChIKey of 5-hydroxytridecanedioic acid?
The InChIKey is IZZLYZKNDSWCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O5/c14-11(8-6-10-13(17)18)7-4-2-1-3-5-9-12(15)16/h11,14H,1-10H2,(H,15,16)(H,17,18).
What are the key properties of 5-hydroxytridecanedioic acid?
5-hydroxytridecanedioic acid has a molecular weight of 260.33 g/mol, XLogP of 2.42, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxytridecanedioic acid is sourced from PubChem (CID 139805426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).