decakis(octadecanoic acid);decakis(propane-1,2,3-triol)

C210H440O50 — CID 159703751

IUPACdecakis(octadecanoic acid);decakis(propane-1,2,3-triol)
SMILESCCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO
InChIInChI=1S/10C18H36O2.10C3H8O3/c10*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;10*4-1-3(6)2-5/h10*2-17H2,1H3,(H,19,20);10*3-6H,1-2H2
InChIKeyMXYIBPPMBYGNKS-UHFFFAOYSA-N
MW3765.78 g/mol
LogP46.64
Rot. Bonds180

About decakis(octadecanoic acid);decakis(propane-1,2,3-triol)

decakis(octadecanoic acid);decakis(propane-1,2,3-triol) (PubChem CID 159703751) has the molecular formula C210H440O50 and a molecular weight of 3765.78 g/mol. Its IUPAC name is decakis(octadecanoic acid);decakis(propane-1,2,3-triol).

Molecular Properties

Compound Namedecakis(octadecanoic acid);decakis(propane-1,2,3-triol)
PubChem CID159703751
Molecular FormulaC210H440O50
Molecular Weight3765.78 g/mol
Exact Mass3763.19
IUPAC Namedecakis(octadecanoic acid);decakis(propane-1,2,3-triol)
SMILESCCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO
InChIInChI=1S/10C18H36O2.10C3H8O3/c10*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;10*4-1-3(6)2-5/h10*2-17H2,1H3,(H,19,20);10*3-6H,1-2H2
InChIKeyMXYIBPPMBYGNKS-UHFFFAOYSA-N
XLogP46.64
TPSA979.90 Ų
H-Bond Donors40
H-Bond Acceptors40
Rotatable Bonds180
Heavy Atoms260
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003765.78
LogP ≤ 546.64
H-Bond Donors ≤ 540
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

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

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Related Compounds

propane-1,2,3-triol;tetradecanoic acid
CID 19606662
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

Frequently Asked Questions

What is the IUPAC name of decakis(octadecanoic acid);decakis(propane-1,2,3-triol)?
The IUPAC name of decakis(octadecanoic acid);decakis(propane-1,2,3-triol) (CID 159703751) is decakis(octadecanoic acid);decakis(propane-1,2,3-triol).
What is the SMILES notation for decakis(octadecanoic acid);decakis(propane-1,2,3-triol)?
The canonical SMILES for decakis(octadecanoic acid);decakis(propane-1,2,3-triol) is CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO.OCC(O)CO.
What is the InChIKey of decakis(octadecanoic acid);decakis(propane-1,2,3-triol)?
The InChIKey is MXYIBPPMBYGNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/10C18H36O2.10C3H8O3/c10*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;10*4-1-3(6)2-5/h10*2-17H2,1H3,(H,19,20);10*3-6H,1-2H2.
What are the key properties of decakis(octadecanoic acid);decakis(propane-1,2,3-triol)?
decakis(octadecanoic acid);decakis(propane-1,2,3-triol) has a molecular weight of 3765.78 g/mol, XLogP of 46.64, 180 rotatable bonds, 40 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for decakis(octadecanoic acid);decakis(propane-1,2,3-triol) is sourced from PubChem (CID 159703751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).