tris(pentane-2,4-diol);ruthenium

C15H36O6Ru — CID 5231187

IUPACtris(pentane-2,4-diol);ruthenium
SMILESCC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.[Ru]
InChIInChI=1S/3C5H12O2.Ru/c3*1-4(6)3-5(2)7;/h3*4-7H,3H2,1-2H3;
InChIKeyNGDPQKKTHMTJHD-UHFFFAOYSA-N
MW413.52 g/mol
LogP0.41
Rot. Bonds6

About tris(pentane-2,4-diol);ruthenium

tris(pentane-2,4-diol);ruthenium (PubChem CID 5231187) has the molecular formula C15H36O6Ru and a molecular weight of 413.52 g/mol. Its IUPAC name is tris(pentane-2,4-diol);ruthenium.

Molecular Properties

Compound Nametris(pentane-2,4-diol);ruthenium
PubChem CID5231187
Molecular FormulaC15H36O6Ru
Molecular Weight413.52 g/mol
Exact Mass414.16
IUPAC Nametris(pentane-2,4-diol);ruthenium
SMILESCC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.[Ru]
InChIInChI=1S/3C5H12O2.Ru/c3*1-4(6)3-5(2)7;/h3*4-7H,3H2,1-2H3;
InChIKeyNGDPQKKTHMTJHD-UHFFFAOYSA-N
XLogP0.41
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 50.41
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 6395570
CID 6395570
lanthanum;tris(pentane-2,4-diol);dihydrate
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CID 166004724
(2R,4S)-4-methoxypentan-2-ol
CID 59003340
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Frequently Asked Questions

What is the IUPAC name of tris(pentane-2,4-diol);ruthenium?
The IUPAC name of tris(pentane-2,4-diol);ruthenium (CID 5231187) is tris(pentane-2,4-diol);ruthenium.
What is the SMILES notation for tris(pentane-2,4-diol);ruthenium?
The canonical SMILES for tris(pentane-2,4-diol);ruthenium is CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.[Ru].
What is the InChIKey of tris(pentane-2,4-diol);ruthenium?
The InChIKey is NGDPQKKTHMTJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C5H12O2.Ru/c3*1-4(6)3-5(2)7;/h3*4-7H,3H2,1-2H3;.
What are the key properties of tris(pentane-2,4-diol);ruthenium?
tris(pentane-2,4-diol);ruthenium has a molecular weight of 413.52 g/mol, XLogP of 0.41, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tris(pentane-2,4-diol);ruthenium is sourced from PubChem (CID 5231187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).