[(2S)-2,3-dihydroxypropyl] dodecanoate

C15H30O4 — CID 656773

IUPAC[(2S)-2,3-dihydroxypropyl] dodecanoate
SMILESCCCCCCCCCCCC(=O)OC[C@@H](O)CO
InChIInChI=1S/C15H30O4/c1-2-3-4-5-6-7-8-9-10-11-15(18)19-13-14(17)12-16/h14,16-17H,2-13H2,1H3/t14-/m0/s1
InChIKeyARIWANIATODDMH-AWEZNQCLSA-N
MW274.40 g/mol
LogP2.80
Rot. Bonds13

About [(2S)-2,3-dihydroxypropyl] dodecanoate

[(2S)-2,3-dihydroxypropyl] dodecanoate (PubChem CID 656773) has the molecular formula C15H30O4 and a molecular weight of 274.40 g/mol. Its IUPAC name is [(2S)-2,3-dihydroxypropyl] dodecanoate.

Molecular Properties

Compound Name[(2S)-2,3-dihydroxypropyl] dodecanoate
PubChem CID656773
Molecular FormulaC15H30O4
Molecular Weight274.40 g/mol
Exact Mass274.21
IUPAC Name[(2S)-2,3-dihydroxypropyl] dodecanoate
SMILESCCCCCCCCCCCC(=O)OC[C@@H](O)CO
InChIInChI=1S/C15H30O4/c1-2-3-4-5-6-7-8-9-10-11-15(18)19-13-14(17)12-16/h14,16-17H,2-13H2,1H3/t14-/m0/s1
InChIKeyARIWANIATODDMH-AWEZNQCLSA-N
XLogP2.80
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(2S)-2,3-dihydroxypropyl] dodecanoate 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)-2,3-dihydroxypropyl] dodecanoate?
The IUPAC name of [(2S)-2,3-dihydroxypropyl] dodecanoate (CID 656773) is [(2S)-2,3-dihydroxypropyl] dodecanoate.
What is the SMILES notation for [(2S)-2,3-dihydroxypropyl] dodecanoate?
The canonical SMILES for [(2S)-2,3-dihydroxypropyl] dodecanoate is CCCCCCCCCCCC(=O)OC[C@@H](O)CO.
What is the InChIKey of [(2S)-2,3-dihydroxypropyl] dodecanoate?
The InChIKey is ARIWANIATODDMH-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H30O4/c1-2-3-4-5-6-7-8-9-10-11-15(18)19-13-14(17)12-16/h14,16-17H,2-13H2,1H3/t14-/m0/s1.
What are the key properties of [(2S)-2,3-dihydroxypropyl] dodecanoate?
[(2S)-2,3-dihydroxypropyl] dodecanoate has a molecular weight of 274.40 g/mol, XLogP of 2.80, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2,3-dihydroxypropyl] dodecanoate is sourced from PubChem (CID 656773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).