4-hydroxytetradec-4-enoic acid

C14H26O3 — CID 88697585

IUPAC4-hydroxytetradec-4-enoic acid
SMILESCCCCCCCCCC=C(O)CCC(=O)O
InChIInChI=1S/C14H26O3/c1-2-3-4-5-6-7-8-9-10-13(15)11-12-14(16)17/h10,15H,2-9,11-12H2,1H3,(H,16,17)
InChIKeyFVGBBEXNUQOFAL-UHFFFAOYSA-N
MW242.36 g/mol
LogP4.43
Rot. Bonds11

About 4-hydroxytetradec-4-enoic acid

4-hydroxytetradec-4-enoic acid (PubChem CID 88697585) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 4-hydroxytetradec-4-enoic acid.

Molecular Properties

Compound Name4-hydroxytetradec-4-enoic acid
PubChem CID88697585
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name4-hydroxytetradec-4-enoic acid
SMILESCCCCCCCCCC=C(O)CCC(=O)O
InChIInChI=1S/C14H26O3/c1-2-3-4-5-6-7-8-9-10-13(15)11-12-14(16)17/h10,15H,2-9,11-12H2,1H3,(H,16,17)
InChIKeyFVGBBEXNUQOFAL-UHFFFAOYSA-N
XLogP4.43
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 ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(Z)-tetradec-5-en-5-ol
CID 129379563
octatriacont-11-en-12-ol
CID 156905019
hexatriacont-17-en-18-ol
CID 173290872
bis(butanedioic acid);decane
CID 159628544
3-hydroxydec-3-enal
CID 174452166
9-acetyloctadec-9-enoic acid
CID 123865371
(Z)-tetradec-5-enoic acid
CID 5312400
heptacos-5-enoic acid
CID 169277466
nonadec-4-enoic acid
CID 56637756
docos-13-enoic acid
CID 173024393
nonacos-6-enoic acid
CID 169277319
octadecanoic acid;bis((Z)-octadec-9-enoic acid)
CID 88752533

Frequently Asked Questions

What is the IUPAC name of 4-hydroxytetradec-4-enoic acid?
The IUPAC name of 4-hydroxytetradec-4-enoic acid (CID 88697585) is 4-hydroxytetradec-4-enoic acid.
What is the SMILES notation for 4-hydroxytetradec-4-enoic acid?
The canonical SMILES for 4-hydroxytetradec-4-enoic acid is CCCCCCCCCC=C(O)CCC(=O)O.
What is the InChIKey of 4-hydroxytetradec-4-enoic acid?
The InChIKey is FVGBBEXNUQOFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-2-3-4-5-6-7-8-9-10-13(15)11-12-14(16)17/h10,15H,2-9,11-12H2,1H3,(H,16,17).
What are the key properties of 4-hydroxytetradec-4-enoic acid?
4-hydroxytetradec-4-enoic acid has a molecular weight of 242.36 g/mol, XLogP of 4.43, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxytetradec-4-enoic acid is sourced from PubChem (CID 88697585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).