[(2R)-2,3-dihydroxypropyl] decanoate

C13H26O4 — CID 3085401

IUPAC[(2R)-2,3-dihydroxypropyl] decanoate
SMILESCCCCCCCCCC(=O)OC[C@H](O)CO
InChIInChI=1S/C13H26O4/c1-2-3-4-5-6-7-8-9-13(16)17-11-12(15)10-14/h12,14-15H,2-11H2,1H3/t12-/m1/s1
InChIKeyLKUNXBRZDFMZOK-GFCCVEGCSA-N
MW246.35 g/mol
LogP2.02
Rot. Bonds11

About [(2R)-2,3-dihydroxypropyl] decanoate

[(2R)-2,3-dihydroxypropyl] decanoate (PubChem CID 3085401) has the molecular formula C13H26O4 and a molecular weight of 246.35 g/mol. Its IUPAC name is [(2R)-2,3-dihydroxypropyl] decanoate.

Molecular Properties

Compound Name[(2R)-2,3-dihydroxypropyl] decanoate
PubChem CID3085401
Molecular FormulaC13H26O4
Molecular Weight246.35 g/mol
Exact Mass246.18
IUPAC Name[(2R)-2,3-dihydroxypropyl] decanoate
SMILESCCCCCCCCCC(=O)OC[C@H](O)CO
InChIInChI=1S/C13H26O4/c1-2-3-4-5-6-7-8-9-13(16)17-11-12(15)10-14/h12,14-15H,2-11H2,1H3/t12-/m1/s1
InChIKeyLKUNXBRZDFMZOK-GFCCVEGCSA-N
XLogP2.02
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 [(2R)-2,3-dihydroxypropyl] decanoate?
The IUPAC name of [(2R)-2,3-dihydroxypropyl] decanoate (CID 3085401) is [(2R)-2,3-dihydroxypropyl] decanoate.
What is the SMILES notation for [(2R)-2,3-dihydroxypropyl] decanoate?
The canonical SMILES for [(2R)-2,3-dihydroxypropyl] decanoate is CCCCCCCCCC(=O)OC[C@H](O)CO.
What is the InChIKey of [(2R)-2,3-dihydroxypropyl] decanoate?
The InChIKey is LKUNXBRZDFMZOK-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H26O4/c1-2-3-4-5-6-7-8-9-13(16)17-11-12(15)10-14/h12,14-15H,2-11H2,1H3/t12-/m1/s1.
What are the key properties of [(2R)-2,3-dihydroxypropyl] decanoate?
[(2R)-2,3-dihydroxypropyl] decanoate has a molecular weight of 246.35 g/mol, XLogP of 2.02, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2,3-dihydroxypropyl] decanoate is sourced from PubChem (CID 3085401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).