decanoic acid;3-[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-hydroxypropoxy]propane-1,2-diol

C22H46O11 — CID 154733684

IUPACdecanoic acid;3-[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-hydroxypropoxy]propane-1,2-diol
SMILESCCCCCCCCCC(=O)O.OCC(O)COCC(O)COCC(O)COCC(O)CO
InChIInChI=1S/C12H26O9.C10H20O2/c13-1-9(15)3-19-5-11(17)7-21-8-12(18)6-20-4-10(16)2-14;1-2-3-4-5-6-7-8-9-10(11)12/h9-18H,1-8H2;2-9H2,1H3,(H,11,12)
InChIKeyIWWUCPFXIJRPLN-UHFFFAOYSA-N
MW486.60 g/mol
LogP-0.32
Rot. Bonds22

About decanoic acid;3-[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-hydroxypropoxy]propane-1,2-diol

decanoic acid;3-[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-hydroxypropoxy]propane-1,2-diol (PubChem CID 154733684) has the molecular formula C22H46O11 and a molecular weight of 486.60 g/mol. Its IUPAC name is decanoic acid;3-[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-hydroxypropoxy]propane-1,2-diol.

Molecular Properties

Compound Namedecanoic acid;3-[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-hydroxypropoxy]propane-1,2-diol
PubChem CID154733684
Molecular FormulaC22H46O11
Molecular Weight486.60 g/mol
Exact Mass486.30
IUPAC Namedecanoic acid;3-[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-hydroxypropoxy]propane-1,2-diol
SMILESCCCCCCCCCC(=O)O.OCC(O)COCC(O)COCC(O)COCC(O)CO
InChIInChI=1S/C12H26O9.C10H20O2/c13-1-9(15)3-19-5-11(17)7-21-8-12(18)6-20-4-10(16)2-14;1-2-3-4-5-6-7-8-9-10(11)12/h9-18H,1-8H2;2-9H2,1H3,(H,11,12)
InChIKeyIWWUCPFXIJRPLN-UHFFFAOYSA-N
XLogP-0.32
TPSA186.37 Ų
H-Bond Donors7
H-Bond Acceptors10
Rotatable Bonds22
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.60
LogP ≤ 5-0.32
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze decanoic acid;3-[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-hydroxypropoxy]propane-1,2-diol with MolForge

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Related Compounds

3-ethoxypropane-1,2-diol;octadecanoic acid
CID 174477085
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
hexakis(dodecanoic acid);heptakis(propane-1,2,3-triol)
CID 160909633
tetrakis(decanoic acid);pentakis(propane-1,2,3-triol)
CID 159712204
dodecakis(octanoic acid);decakis(propane-1,2,3-triol)
CID 173131285
decakis(octadecanoic acid);decakis(propane-1,2,3-triol)
CID 159703751
tris(hexadecanoic acid);tris(propane-1,2,3-triol)
CID 175853786

Frequently Asked Questions

What is the IUPAC name of decanoic acid;3-[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-hydroxypropoxy]propane-1,2-diol?
The IUPAC name of decanoic acid;3-[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-hydroxypropoxy]propane-1,2-diol (CID 154733684) is decanoic acid;3-[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-hydroxypropoxy]propane-1,2-diol.
What is the SMILES notation for decanoic acid;3-[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-hydroxypropoxy]propane-1,2-diol?
The canonical SMILES for decanoic acid;3-[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-hydroxypropoxy]propane-1,2-diol is CCCCCCCCCC(=O)O.OCC(O)COCC(O)COCC(O)COCC(O)CO.
What is the InChIKey of decanoic acid;3-[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-hydroxypropoxy]propane-1,2-diol?
The InChIKey is IWWUCPFXIJRPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O9.C10H20O2/c13-1-9(15)3-19-5-11(17)7-21-8-12(18)6-20-4-10(16)2-14;1-2-3-4-5-6-7-8-9-10(11)12/h9-18H,1-8H2;2-9H2,1H3,(H,11,12).
What are the key properties of decanoic acid;3-[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-hydroxypropoxy]propane-1,2-diol?
decanoic acid;3-[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-hydroxypropoxy]propane-1,2-diol has a molecular weight of 486.60 g/mol, XLogP of -0.32, 22 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for decanoic acid;3-[3-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]-2-hydroxypropoxy]propane-1,2-diol is sourced from PubChem (CID 154733684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).