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

C48H116O34 — CID 173290043

IUPACdecanoic acid;octanoic acid;decakis(propane-1,2,3-triol)
SMILESCCCCCCCC(=O)O.CCCCCCCCCC(=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/C10H20O2.C8H16O2.10C3H8O3/c1-2-3-4-5-6-7-8-9-10(11)12;1-2-3-4-5-6-7-8(9)10;10*4-1-3(6)2-5/h2-9H2,1H3,(H,11,12);2-7H2,1H3,(H,9,10);10*3-6H,1-2H2
InChIKeyYVFLCLZVAASCDZ-UHFFFAOYSA-N
MW1237.42 g/mol
LogP-11.04
Rot. Bonds34

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

decanoic acid;octanoic acid;decakis(propane-1,2,3-triol) (PubChem CID 173290043) has the molecular formula C48H116O34 and a molecular weight of 1237.42 g/mol. Its IUPAC name is decanoic acid;octanoic acid;decakis(propane-1,2,3-triol).

Molecular Properties

Compound Namedecanoic acid;octanoic acid;decakis(propane-1,2,3-triol)
PubChem CID173290043
Molecular FormulaC48H116O34
Molecular Weight1237.42 g/mol
Exact Mass1236.73
IUPAC Namedecanoic acid;octanoic acid;decakis(propane-1,2,3-triol)
SMILESCCCCCCCC(=O)O.CCCCCCCCCC(=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/C10H20O2.C8H16O2.10C3H8O3/c1-2-3-4-5-6-7-8-9-10(11)12;1-2-3-4-5-6-7-8(9)10;10*4-1-3(6)2-5/h2-9H2,1H3,(H,11,12);2-7H2,1H3,(H,9,10);10*3-6H,1-2H2
InChIKeyYVFLCLZVAASCDZ-UHFFFAOYSA-N
XLogP-11.04
TPSA681.50 Ų
H-Bond Donors32
H-Bond Acceptors32
Rotatable Bonds34
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001237.42
LogP ≤ 5-11.04
H-Bond Donors ≤ 532
H-Bond Acceptors ≤ 1032

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
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 decanoic acid;octanoic acid;decakis(propane-1,2,3-triol)?
The IUPAC name of decanoic acid;octanoic acid;decakis(propane-1,2,3-triol) (CID 173290043) is decanoic acid;octanoic acid;decakis(propane-1,2,3-triol).
What is the SMILES notation for decanoic acid;octanoic acid;decakis(propane-1,2,3-triol)?
The canonical SMILES for decanoic acid;octanoic acid;decakis(propane-1,2,3-triol) is CCCCCCCC(=O)O.CCCCCCCCCC(=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 decanoic acid;octanoic acid;decakis(propane-1,2,3-triol)?
The InChIKey is YVFLCLZVAASCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2.C8H16O2.10C3H8O3/c1-2-3-4-5-6-7-8-9-10(11)12;1-2-3-4-5-6-7-8(9)10;10*4-1-3(6)2-5/h2-9H2,1H3,(H,11,12);2-7H2,1H3,(H,9,10);10*3-6H,1-2H2.
What are the key properties of decanoic acid;octanoic acid;decakis(propane-1,2,3-triol)?
decanoic acid;octanoic acid;decakis(propane-1,2,3-triol) has a molecular weight of 1237.42 g/mol, XLogP of -11.04, 34 rotatable bonds, 32 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for decanoic acid;octanoic acid;decakis(propane-1,2,3-triol) is sourced from PubChem (CID 173290043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).