(2S)-2-[(2S)-2-hydroxy-4-oxopentadecyl]-2,3-dihydropyran-6-one

C20H34O4 — CID 118723279

IUPAC(2S)-2-[(2S)-2-hydroxy-4-oxopentadecyl]-2,3-dihydropyran-6-one
SMILESCCCCCCCCCCCC(=O)C[C@@H](O)C[C@@H]1CC=CC(=O)O1
InChIInChI=1S/C20H34O4/c1-2-3-4-5-6-7-8-9-10-12-17(21)15-18(22)16-19-13-11-14-20(23)24-19/h11,14,18-19,22H,2-10,12-13,15-16H2,1H3/t18-,19+/m1/s1
InChIKeyRINHODQGMTWSAG-MOPGFXCFSA-N
MW338.49 g/mol
LogP4.49
Rot. Bonds14

About (2S)-2-[(2S)-2-hydroxy-4-oxopentadecyl]-2,3-dihydropyran-6-one

(2S)-2-[(2S)-2-hydroxy-4-oxopentadecyl]-2,3-dihydropyran-6-one (PubChem CID 118723279) has the molecular formula C20H34O4 and a molecular weight of 338.49 g/mol. Its IUPAC name is (2S)-2-[(2S)-2-hydroxy-4-oxopentadecyl]-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2S)-2-[(2S)-2-hydroxy-4-oxopentadecyl]-2,3-dihydropyran-6-one
PubChem CID118723279
Molecular FormulaC20H34O4
Molecular Weight338.49 g/mol
Exact Mass338.25
IUPAC Name(2S)-2-[(2S)-2-hydroxy-4-oxopentadecyl]-2,3-dihydropyran-6-one
SMILESCCCCCCCCCCCC(=O)C[C@@H](O)C[C@@H]1CC=CC(=O)O1
InChIInChI=1S/C20H34O4/c1-2-3-4-5-6-7-8-9-10-12-17(21)15-18(22)16-19-13-11-14-20(23)24-19/h11,14,18-19,22H,2-10,12-13,15-16H2,1H3/t18-,19+/m1/s1
InChIKeyRINHODQGMTWSAG-MOPGFXCFSA-N
XLogP4.49
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-2-[(2S)-2-hydroxy-4-oxopentadecyl]-2,3-dihydropyran-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S)-2-hydroxy-4-oxopentadecyl]-2,3-dihydropyran-6-one?
The IUPAC name of (2S)-2-[(2S)-2-hydroxy-4-oxopentadecyl]-2,3-dihydropyran-6-one (CID 118723279) is (2S)-2-[(2S)-2-hydroxy-4-oxopentadecyl]-2,3-dihydropyran-6-one.
What is the SMILES notation for (2S)-2-[(2S)-2-hydroxy-4-oxopentadecyl]-2,3-dihydropyran-6-one?
The canonical SMILES for (2S)-2-[(2S)-2-hydroxy-4-oxopentadecyl]-2,3-dihydropyran-6-one is CCCCCCCCCCCC(=O)C[C@@H](O)C[C@@H]1CC=CC(=O)O1.
What is the InChIKey of (2S)-2-[(2S)-2-hydroxy-4-oxopentadecyl]-2,3-dihydropyran-6-one?
The InChIKey is RINHODQGMTWSAG-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H34O4/c1-2-3-4-5-6-7-8-9-10-12-17(21)15-18(22)16-19-13-11-14-20(23)24-19/h11,14,18-19,22H,2-10,12-13,15-16H2,1H3/t18-,19+/m1/s1.
What are the key properties of (2S)-2-[(2S)-2-hydroxy-4-oxopentadecyl]-2,3-dihydropyran-6-one?
(2S)-2-[(2S)-2-hydroxy-4-oxopentadecyl]-2,3-dihydropyran-6-one has a molecular weight of 338.49 g/mol, XLogP of 4.49, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S)-2-hydroxy-4-oxopentadecyl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 118723279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).