propane-1,2,3-triol;tetradecanoic acid

C17H36O5 — CID 19606662

IUPACpropane-1,2,3-triol;tetradecanoic acid
SMILESCCCCCCCCCCCCCC(=O)O.OCC(O)CO
InChIInChI=1S/C14H28O2.C3H8O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;4-1-3(6)2-5/h2-13H2,1H3,(H,15,16);3-6H,1-2H2
InChIKeyDGPCSURYVBYWAT-UHFFFAOYSA-N
MW320.47 g/mol
LogP3.10
Rot. Bonds14

About propane-1,2,3-triol;tetradecanoic acid

propane-1,2,3-triol;tetradecanoic acid (PubChem CID 19606662) has the molecular formula C17H36O5 and a molecular weight of 320.47 g/mol. Its IUPAC name is propane-1,2,3-triol;tetradecanoic acid.

Molecular Properties

Compound Namepropane-1,2,3-triol;tetradecanoic acid
PubChem CID19606662
Molecular FormulaC17H36O5
Molecular Weight320.47 g/mol
Exact Mass320.26
IUPAC Namepropane-1,2,3-triol;tetradecanoic acid
SMILESCCCCCCCCCCCCCC(=O)O.OCC(O)CO
InChIInChI=1S/C14H28O2.C3H8O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;4-1-3(6)2-5/h2-13H2,1H3,(H,15,16);3-6H,1-2H2
InChIKeyDGPCSURYVBYWAT-UHFFFAOYSA-N
XLogP3.10
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.47
LogP ≤ 53.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

decanedioic acid;hexadecanoic acid;bis(propane-1,2,3-triol)
CID 175774423
docosanoic acid;hexakis(propane-1,2,3-triol)
CID 161031010
hexakis(propane-1,2,3-triol);tetrakis(tetradecanoic acid)
CID 161223190
nonakis(dodecanoic acid);heptakis(propane-1,2,3-triol)
CID 159219388
pentakis(octadecanoic acid);pentakis(propane-1,2,3-triol)
CID 161420599
dodecakis(octanoic acid);decakis(propane-1,2,3-triol)
CID 173131285
hexakis(dodecanoic acid);heptakis(propane-1,2,3-triol)
CID 160909633
tetrakis(decanoic acid);pentakis(propane-1,2,3-triol)
CID 159712204
tetrakis(dodecanoic acid);pentakis(propane-1,2,3-triol)
CID 162108815
decanoic acid;octanoic acid;decakis(propane-1,2,3-triol)
CID 173290043
docosanoic acid;tris(propane-1,2,3-triol)
CID 163939719
decakis(octadecanoic acid);decakis(propane-1,2,3-triol)
CID 159703751

Frequently Asked Questions

What is the IUPAC name of propane-1,2,3-triol;tetradecanoic acid?
The IUPAC name of propane-1,2,3-triol;tetradecanoic acid (CID 19606662) is propane-1,2,3-triol;tetradecanoic acid.
What is the SMILES notation for propane-1,2,3-triol;tetradecanoic acid?
The canonical SMILES for propane-1,2,3-triol;tetradecanoic acid is CCCCCCCCCCCCCC(=O)O.OCC(O)CO.
What is the InChIKey of propane-1,2,3-triol;tetradecanoic acid?
The InChIKey is DGPCSURYVBYWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2.C3H8O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;4-1-3(6)2-5/h2-13H2,1H3,(H,15,16);3-6H,1-2H2.
What are the key properties of propane-1,2,3-triol;tetradecanoic acid?
propane-1,2,3-triol;tetradecanoic acid has a molecular weight of 320.47 g/mol, XLogP of 3.10, 14 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propane-1,2,3-triol;tetradecanoic acid is sourced from PubChem (CID 19606662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).