2,3-dihydroxypropyl dodecanoate

C15H30O4 — CID 14871

IUPAC2,3-dihydroxypropyl dodecanoate
SMILESCCCCCCCCCCCC(=O)OCC(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
InChIKeyARIWANIATODDMH-UHFFFAOYSA-N
MW274.40 g/mol
LogP2.80
Rot. Bonds13

About 2,3-dihydroxypropyl dodecanoate

2,3-dihydroxypropyl dodecanoate (PubChem CID 14871) has the molecular formula C15H30O4 and a molecular weight of 274.40 g/mol. Its IUPAC name is 2,3-dihydroxypropyl dodecanoate.

Molecular Properties

Compound Name2,3-dihydroxypropyl dodecanoate
PubChem CID14871
Molecular FormulaC15H30O4
Molecular Weight274.40 g/mol
Exact Mass274.21
IUPAC Name2,3-dihydroxypropyl dodecanoate
SMILESCCCCCCCCCCCC(=O)OCC(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
InChIKeyARIWANIATODDMH-UHFFFAOYSA-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'}

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Related Compounds

Tricaprylin
CID 10850
Glyceryl 1-monooctanoate
CID 3033877
Monostearin
CID 24699
Hydroxycaprylic Acid
CID 94180
Propylene Glycol Monostearate
CID 14878
1-Decanoylglycerol
CID 92926
Sorbitan monooctadecanoate
CID 16218600
Glyceryl Myristate
CID 79050
2-Palmitoylglycerol
CID 123409
Glycol monostearate
CID 24762
2-Hydroxytetradecanoic acid
CID 1563
1,3-Dipalmitin
CID 68149

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropyl dodecanoate?
The IUPAC name of 2,3-dihydroxypropyl dodecanoate (CID 14871) is 2,3-dihydroxypropyl dodecanoate.
What is the SMILES notation for 2,3-dihydroxypropyl dodecanoate?
The canonical SMILES for 2,3-dihydroxypropyl dodecanoate is CCCCCCCCCCCC(=O)OCC(O)CO.
What is the InChIKey of 2,3-dihydroxypropyl dodecanoate?
The InChIKey is ARIWANIATODDMH-UHFFFAOYSA-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.
What are the key properties of 2,3-dihydroxypropyl dodecanoate?
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 2,3-dihydroxypropyl dodecanoate is sourced from PubChem (CID 14871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).