ethenol;octadecanoic acid;propane-1,2,3-triol

C23H48O6 — CID 174925755

IUPACethenol;octadecanoic acid;propane-1,2,3-triol
SMILESC=CO.CCCCCCCCCCCCCCCCCC(=O)O.OCC(O)CO
InChIInChI=1S/C18H36O2.C3H8O3.C2H4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;4-1-3(6)2-5;1-2-3/h2-17H2,1H3,(H,19,20);3-6H,1-2H2;2-3H,1H2
InChIKeyCKVNCMLSRWMNIE-UHFFFAOYSA-N
MW420.63 g/mol
LogP5.35
Rot. Bonds18

About ethenol;octadecanoic acid;propane-1,2,3-triol

ethenol;octadecanoic acid;propane-1,2,3-triol (PubChem CID 174925755) has the molecular formula C23H48O6 and a molecular weight of 420.63 g/mol. Its IUPAC name is ethenol;octadecanoic acid;propane-1,2,3-triol.

Molecular Properties

Compound Nameethenol;octadecanoic acid;propane-1,2,3-triol
PubChem CID174925755
Molecular FormulaC23H48O6
Molecular Weight420.63 g/mol
Exact Mass420.35
IUPAC Nameethenol;octadecanoic acid;propane-1,2,3-triol
SMILESC=CO.CCCCCCCCCCCCCCCCCC(=O)O.OCC(O)CO
InChIInChI=1S/C18H36O2.C3H8O3.C2H4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;4-1-3(6)2-5;1-2-3/h2-17H2,1H3,(H,19,20);3-6H,1-2H2;2-3H,1H2
InChIKeyCKVNCMLSRWMNIE-UHFFFAOYSA-N
XLogP5.35
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.63
LogP ≤ 55.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tris(decanoic acid);propane-1,2,3-triol;prop-2-enoic acid
CID 175843516
ethene;hexadecanoic acid;propane-1,2,3-triol
CID 159875285
hexakis(dodecanoic acid);heptakis(propane-1,2,3-triol)
CID 160909633
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
propane-1,2,3-triol;tetradecanoic acid
CID 19606662
decanedioic acid;hexadecanoic acid;bis(propane-1,2,3-triol)
CID 175774423
dodecakis(octanoic acid);decakis(propane-1,2,3-triol)
CID 173131285
tetrakis(decanoic acid);pentakis(propane-1,2,3-triol)
CID 159712204
tetrakis(dodecanoic acid);pentakis(propane-1,2,3-triol)
CID 162108815

Frequently Asked Questions

What is the IUPAC name of ethenol;octadecanoic acid;propane-1,2,3-triol?
The IUPAC name of ethenol;octadecanoic acid;propane-1,2,3-triol (CID 174925755) is ethenol;octadecanoic acid;propane-1,2,3-triol.
What is the SMILES notation for ethenol;octadecanoic acid;propane-1,2,3-triol?
The canonical SMILES for ethenol;octadecanoic acid;propane-1,2,3-triol is C=CO.CCCCCCCCCCCCCCCCCC(=O)O.OCC(O)CO.
What is the InChIKey of ethenol;octadecanoic acid;propane-1,2,3-triol?
The InChIKey is CKVNCMLSRWMNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36O2.C3H8O3.C2H4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;4-1-3(6)2-5;1-2-3/h2-17H2,1H3,(H,19,20);3-6H,1-2H2;2-3H,1H2.
What are the key properties of ethenol;octadecanoic acid;propane-1,2,3-triol?
ethenol;octadecanoic acid;propane-1,2,3-triol has a molecular weight of 420.63 g/mol, XLogP of 5.35, 18 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethenol;octadecanoic acid;propane-1,2,3-triol is sourced from PubChem (CID 174925755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).