5-hydroxy-2-methyltridec-2-enoic acid

C14H26O3 — CID 123675074

IUPAC5-hydroxy-2-methyltridec-2-enoic acid
SMILESCCCCCCCCC(O)CC=C(C)C(=O)O
InChIInChI=1S/C14H26O3/c1-3-4-5-6-7-8-9-13(15)11-10-12(2)14(16)17/h10,13,15H,3-9,11H2,1-2H3,(H,16,17)
InChIKeyZUSWHPFIGHUMLA-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.52
Rot. Bonds10

About 5-hydroxy-2-methyltridec-2-enoic acid

5-hydroxy-2-methyltridec-2-enoic acid (PubChem CID 123675074) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 5-hydroxy-2-methyltridec-2-enoic acid.

Molecular Properties

Compound Name5-hydroxy-2-methyltridec-2-enoic acid
PubChem CID123675074
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name5-hydroxy-2-methyltridec-2-enoic acid
SMILESCCCCCCCCC(O)CC=C(C)C(=O)O
InChIInChI=1S/C14H26O3/c1-3-4-5-6-7-8-9-13(15)11-10-12(2)14(16)17/h10,13,15H,3-9,11H2,1-2H3,(H,16,17)
InChIKeyZUSWHPFIGHUMLA-UHFFFAOYSA-N
XLogP3.52
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-hydroxy-2-methyloct-2-enoic acid
CID 56988167
2,5-dimethylheptadec-2-enoic acid
CID 54050790
5-ethyl-2-methylheptadec-2-enoic acid
CID 123385877
13-formyl-2-methylhenicos-2-enoic acid
CID 123997925
(E)-5-hydroxy-2-methyldec-2-enal
CID 87291784
2,8-dimethylhexadec-2-enoic acid
CID 90737317
9,12,13-trihydroxyoctadec-11-enoic acid
CID 86068590
5-hydroxyundec-2-enoic acid
CID 54094975
2-methylhentriacont-2-enoic acid
CID 141160211
3-hydroxyheptadecanal
CID 15268158
(Z)-2-methylnon-2-enoic acid
CID 19098031
(E)-2-methylnonacos-2-enoic acid
CID 87108662

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-methyltridec-2-enoic acid?
The IUPAC name of 5-hydroxy-2-methyltridec-2-enoic acid (CID 123675074) is 5-hydroxy-2-methyltridec-2-enoic acid.
What is the SMILES notation for 5-hydroxy-2-methyltridec-2-enoic acid?
The canonical SMILES for 5-hydroxy-2-methyltridec-2-enoic acid is CCCCCCCCC(O)CC=C(C)C(=O)O.
What is the InChIKey of 5-hydroxy-2-methyltridec-2-enoic acid?
The InChIKey is ZUSWHPFIGHUMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-3-4-5-6-7-8-9-13(15)11-10-12(2)14(16)17/h10,13,15H,3-9,11H2,1-2H3,(H,16,17).
What are the key properties of 5-hydroxy-2-methyltridec-2-enoic acid?
5-hydroxy-2-methyltridec-2-enoic acid has a molecular weight of 242.36 g/mol, XLogP of 3.52, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-methyltridec-2-enoic acid is sourced from PubChem (CID 123675074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).