2,3-dihydroxypropyl dodecanoate;ethanol

C17H36O5 — CID 158629488

IUPAC2,3-dihydroxypropyl dodecanoate;ethanol
SMILESCCCCCCCCCCCC(=O)OCC(O)CO.CCO
InChIInChI=1S/C15H30O4.C2H6O/c1-2-3-4-5-6-7-8-9-10-11-15(18)19-13-14(17)12-16;1-2-3/h14,16-17H,2-13H2,1H3;3H,2H2,1H3
InChIKeyHYZZBGJGYLYVAI-UHFFFAOYSA-N
MW320.47 g/mol
LogP2.80
Rot. Bonds13

About 2,3-dihydroxypropyl dodecanoate;ethanol

2,3-dihydroxypropyl dodecanoate;ethanol (PubChem CID 158629488) has the molecular formula C17H36O5 and a molecular weight of 320.47 g/mol. Its IUPAC name is 2,3-dihydroxypropyl dodecanoate;ethanol.

Molecular Properties

Compound Name2,3-dihydroxypropyl dodecanoate;ethanol
PubChem CID158629488
Molecular FormulaC17H36O5
Molecular Weight320.47 g/mol
Exact Mass320.26
IUPAC Name2,3-dihydroxypropyl dodecanoate;ethanol
SMILESCCCCCCCCCCCC(=O)OCC(O)CO.CCO
InChIInChI=1S/C15H30O4.C2H6O/c1-2-3-4-5-6-7-8-9-10-11-15(18)19-13-14(17)12-16;1-2-3/h14,16-17H,2-13H2,1H3;3H,2H2,1H3
InChIKeyHYZZBGJGYLYVAI-UHFFFAOYSA-N
XLogP2.80
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.47
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydroxypropyl tetracosanoate
CID 14542801
2,3-dihydroxypropyl octadecanoate
CID 159321215
[(2S)-2,3-dihydroxypropyl] nonanoate
CID 70789772
2,3-dihydroxypropyl hexadecanoate;2,3-dihydroxypropyl octadecanoate
CID 24698
2,3-dihydroxypropyl octadecanoate;zinc
CID 87251976
[(2R)-2,3-dihydroxypropyl] octanoate;ethane
CID 71627387
2,3-dihydroxypropyl octadecanoate;polane
CID 173093514
2,3-dihydroxypropyl octanoate;ethane-1,2-diol
CID 175177364
2,3-dihydroxypropyl octadecanoate;ethane-1,2-diol
CID 87139616
decanoic acid;2,3-dihydroxypropyl hexanoate;octanoic acid
CID 87710407
2,3-dihydroxypropyl tetradecanoate;bis(dodecanoic acid)
CID 159816438
[2-(2,3-dihydroxypropoxy)-2-oxoethyl] octadecanoate
CID 87346597

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropyl dodecanoate;ethanol?
The IUPAC name of 2,3-dihydroxypropyl dodecanoate;ethanol (CID 158629488) is 2,3-dihydroxypropyl dodecanoate;ethanol.
What is the SMILES notation for 2,3-dihydroxypropyl dodecanoate;ethanol?
The canonical SMILES for 2,3-dihydroxypropyl dodecanoate;ethanol is CCCCCCCCCCCC(=O)OCC(O)CO.CCO.
What is the InChIKey of 2,3-dihydroxypropyl dodecanoate;ethanol?
The InChIKey is HYZZBGJGYLYVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O4.C2H6O/c1-2-3-4-5-6-7-8-9-10-11-15(18)19-13-14(17)12-16;1-2-3/h14,16-17H,2-13H2,1H3;3H,2H2,1H3.
What are the key properties of 2,3-dihydroxypropyl dodecanoate;ethanol?
2,3-dihydroxypropyl dodecanoate;ethanol has a molecular weight of 320.47 g/mol, XLogP of 2.80, 13 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl dodecanoate;ethanol is sourced from PubChem (CID 158629488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).