(3S)-3-hydroxy-5-methoxytetradecanoic acid

C15H30O4 — CID 58226384

IUPAC(3S)-3-hydroxy-5-methoxytetradecanoic acid
SMILESCCCCCCCCCC(C[C@H](O)CC(=O)O)OC
InChIInChI=1S/C15H30O4/c1-3-4-5-6-7-8-9-10-14(19-2)11-13(16)12-15(17)18/h13-14,16H,3-12H2,1-2H3,(H,17,18)/t13-,14?/m0/s1
InChIKeySLOXCSDTTOXBNF-LSLKUGRBSA-N
MW274.40 g/mol
LogP3.37
Rot. Bonds13

About (3S)-3-hydroxy-5-methoxytetradecanoic acid

(3S)-3-hydroxy-5-methoxytetradecanoic acid (PubChem CID 58226384) has the molecular formula C15H30O4 and a molecular weight of 274.40 g/mol. Its IUPAC name is (3S)-3-hydroxy-5-methoxytetradecanoic acid.

Molecular Properties

Compound Name(3S)-3-hydroxy-5-methoxytetradecanoic acid
PubChem CID58226384
Molecular FormulaC15H30O4
Molecular Weight274.40 g/mol
Exact Mass274.21
IUPAC Name(3S)-3-hydroxy-5-methoxytetradecanoic acid
SMILESCCCCCCCCCC(C[C@H](O)CC(=O)O)OC
InChIInChI=1S/C15H30O4/c1-3-4-5-6-7-8-9-10-14(19-2)11-13(16)12-15(17)18/h13-14,16H,3-12H2,1-2H3,(H,17,18)/t13-,14?/m0/s1
InChIKeySLOXCSDTTOXBNF-LSLKUGRBSA-N
XLogP3.37
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-5-methoxytetradecanoic acid?
The IUPAC name of (3S)-3-hydroxy-5-methoxytetradecanoic acid (CID 58226384) is (3S)-3-hydroxy-5-methoxytetradecanoic acid.
What is the SMILES notation for (3S)-3-hydroxy-5-methoxytetradecanoic acid?
The canonical SMILES for (3S)-3-hydroxy-5-methoxytetradecanoic acid is CCCCCCCCCC(C[C@H](O)CC(=O)O)OC.
What is the InChIKey of (3S)-3-hydroxy-5-methoxytetradecanoic acid?
The InChIKey is SLOXCSDTTOXBNF-LSLKUGRBSA-N. The full InChI is InChI=1S/C15H30O4/c1-3-4-5-6-7-8-9-10-14(19-2)11-13(16)12-15(17)18/h13-14,16H,3-12H2,1-2H3,(H,17,18)/t13-,14?/m0/s1.
What are the key properties of (3S)-3-hydroxy-5-methoxytetradecanoic acid?
(3S)-3-hydroxy-5-methoxytetradecanoic acid has a molecular weight of 274.40 g/mol, XLogP of 3.37, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-5-methoxytetradecanoic acid is sourced from PubChem (CID 58226384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).