2-hydroxytridecanoic acid

C13H26O3 — CID 5282901

IUPAC2-hydroxytridecanoic acid
SMILESCCCCCCCCCCCC(O)C(=O)O
InChIInChI=1S/C13H26O3/c1-2-3-4-5-6-7-8-9-10-11-12(14)13(15)16/h12,14H,2-11H2,1H3,(H,15,16)
InChIKeyKCEUZVYQPROALO-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.35
Rot. Bonds11

About 2-hydroxytridecanoic acid

2-hydroxytridecanoic acid (PubChem CID 5282901) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-hydroxytridecanoic acid.

Molecular Properties

Compound Name2-hydroxytridecanoic acid
PubChem CID5282901
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Name2-hydroxytridecanoic acid
SMILESCCCCCCCCCCCC(O)C(=O)O
InChIInChI=1S/C13H26O3/c1-2-3-4-5-6-7-8-9-10-11-12(14)13(15)16/h12,14H,2-11H2,1H3,(H,15,16)
InChIKeyKCEUZVYQPROALO-UHFFFAOYSA-N
XLogP3.35
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.35
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

2-hydroxydecanoic acid
CID 161255514
(2R)-2-hydroxydecanoic acid
CID 13144006
2-hydroxyoctadecanoic acid
CID 87724091
2-hydroxytetradecanoic acid;titanium
CID 174290276
2-hydroxyheptanoic acid
CID 2750949
sodium;hydride;2-hydroxynonanoic acid
CID 175073840
(2R)-2-hydroxyhexanoic acid
CID 6995511
2-hydroxyoctadecanoic acid;propane-1,2-diol
CID 87070694
2-hydroxyoctadecanoic acid;octadecanoic acid
CID 87989363
(E)-2-hydroxydocos-13-enoic acid
CID 18923931
(Z)-2-hydroxyheptadec-8-enoic acid
CID 139771523
(Z,2R)-2-hydroxytricos-14-enoic acid
CID 162876154

Frequently Asked Questions

What is the IUPAC name of 2-hydroxytridecanoic acid?
The IUPAC name of 2-hydroxytridecanoic acid (CID 5282901) is 2-hydroxytridecanoic acid.
What is the SMILES notation for 2-hydroxytridecanoic acid?
The canonical SMILES for 2-hydroxytridecanoic acid is CCCCCCCCCCCC(O)C(=O)O.
What is the InChIKey of 2-hydroxytridecanoic acid?
The InChIKey is KCEUZVYQPROALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3/c1-2-3-4-5-6-7-8-9-10-11-12(14)13(15)16/h12,14H,2-11H2,1H3,(H,15,16).
What are the key properties of 2-hydroxytridecanoic acid?
2-hydroxytridecanoic acid has a molecular weight of 230.35 g/mol, XLogP of 3.35, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxytridecanoic acid is sourced from PubChem (CID 5282901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).