3-hydroxytetradec-5-enoic acid

C14H26O3 — CID 73443469

IUPAC3-hydroxytetradec-5-enoic acid
SMILESCCCCCCCCC=CCC(O)CC(=O)O
InChIInChI=1S/C14H26O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17/h9-10,13,15H,2-8,11-12H2,1H3,(H,16,17)
InChIKeyNHJHGUAFBHHEER-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.52
Rot. Bonds11

About 3-hydroxytetradec-5-enoic acid

3-hydroxytetradec-5-enoic acid (PubChem CID 73443469) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-hydroxytetradec-5-enoic acid.

Molecular Properties

Compound Name3-hydroxytetradec-5-enoic acid
PubChem CID73443469
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name3-hydroxytetradec-5-enoic acid
SMILESCCCCCCCCC=CCC(O)CC(=O)O
InChIInChI=1S/C14H26O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17/h9-10,13,15H,2-8,11-12H2,1H3,(H,16,17)
InChIKeyNHJHGUAFBHHEER-UHFFFAOYSA-N
XLogP3.52
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,5-dihydroxytetradec-7-enoic acid
CID 54529529
(Z,3R)-3-hydroxytetradec-7-enoic acid
CID 24881363
(3R)-3,8-dihydroxytetradec-5-enoic acid
CID 57012260
(Z)-3-hydroxyhexadec-10-enoic acid
CID 164665006
(Z)-12-amino-3-hydroxydodec-5-enoic acid
CID 146253677
(Z,3S)-3-methyldodec-5-enoic acid
CID 169492038
methyl (E)-3-hydroxydodec-5-enoate
CID 15089809
2-[(2E,9E)-hexadeca-2,9-dienyl]butanedioic acid
CID 101278130
(2R)-2-[(E)-hexadec-2-enyl]butanedioic acid
CID 98067241
2-pentadec-2-enylbutanedioic acid
CID 54072439
2-pentacos-2-enylbutanedioic acid
CID 139984745
(Z)-12-hydroxyoctadec-9-enoic acid
CID 5282942

Frequently Asked Questions

What is the IUPAC name of 3-hydroxytetradec-5-enoic acid?
The IUPAC name of 3-hydroxytetradec-5-enoic acid (CID 73443469) is 3-hydroxytetradec-5-enoic acid.
What is the SMILES notation for 3-hydroxytetradec-5-enoic acid?
The canonical SMILES for 3-hydroxytetradec-5-enoic acid is CCCCCCCCC=CCC(O)CC(=O)O.
What is the InChIKey of 3-hydroxytetradec-5-enoic acid?
The InChIKey is NHJHGUAFBHHEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-2-3-4-5-6-7-8-9-10-11-13(15)12-14(16)17/h9-10,13,15H,2-8,11-12H2,1H3,(H,16,17).
What are the key properties of 3-hydroxytetradec-5-enoic acid?
3-hydroxytetradec-5-enoic acid has a molecular weight of 242.36 g/mol, XLogP of 3.52, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxytetradec-5-enoic acid is sourced from PubChem (CID 73443469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).