propane-1,2,3-triol;bis(undecanoic acid)

C25H52O7 — CID 158255564

IUPACpropane-1,2,3-triol;bis(undecanoic acid)
SMILESCCCCCCCCCCC(=O)O.CCCCCCCCCCC(=O)O.OCC(O)CO
InChIInChI=1S/2C11H22O2.C3H8O3/c2*1-2-3-4-5-6-7-8-9-10-11(12)13;4-1-3(6)2-5/h2*2-10H2,1H3,(H,12,13);3-6H,1-2H2
InChIKeyGHFXJTFRJHVFCI-UHFFFAOYSA-N
MW464.68 g/mol
LogP5.54
Rot. Bonds20

About propane-1,2,3-triol;bis(undecanoic acid)

propane-1,2,3-triol;bis(undecanoic acid) (PubChem CID 158255564) has the molecular formula C25H52O7 and a molecular weight of 464.68 g/mol. Its IUPAC name is propane-1,2,3-triol;bis(undecanoic acid).

Molecular Properties

Compound Namepropane-1,2,3-triol;bis(undecanoic acid)
PubChem CID158255564
Molecular FormulaC25H52O7
Molecular Weight464.68 g/mol
Exact Mass464.37
IUPAC Namepropane-1,2,3-triol;bis(undecanoic acid)
SMILESCCCCCCCCCCC(=O)O.CCCCCCCCCCC(=O)O.OCC(O)CO
InChIInChI=1S/2C11H22O2.C3H8O3/c2*1-2-3-4-5-6-7-8-9-10-11(12)13;4-1-3(6)2-5/h2*2-10H2,1H3,(H,12,13);3-6H,1-2H2
InChIKeyGHFXJTFRJHVFCI-UHFFFAOYSA-N
XLogP5.54
TPSA135.29 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.68
LogP ≤ 55.54
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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 propane-1,2,3-triol;bis(undecanoic acid)?
The IUPAC name of propane-1,2,3-triol;bis(undecanoic acid) (CID 158255564) is propane-1,2,3-triol;bis(undecanoic acid).
What is the SMILES notation for propane-1,2,3-triol;bis(undecanoic acid)?
The canonical SMILES for propane-1,2,3-triol;bis(undecanoic acid) is CCCCCCCCCCC(=O)O.CCCCCCCCCCC(=O)O.OCC(O)CO.
What is the InChIKey of propane-1,2,3-triol;bis(undecanoic acid)?
The InChIKey is GHFXJTFRJHVFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H22O2.C3H8O3/c2*1-2-3-4-5-6-7-8-9-10-11(12)13;4-1-3(6)2-5/h2*2-10H2,1H3,(H,12,13);3-6H,1-2H2.
What are the key properties of propane-1,2,3-triol;bis(undecanoic acid)?
propane-1,2,3-triol;bis(undecanoic acid) has a molecular weight of 464.68 g/mol, XLogP of 5.54, 20 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propane-1,2,3-triol;bis(undecanoic acid) is sourced from PubChem (CID 158255564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).