lanthanum;tris(pentane-2,4-diol);dihydrate

C15H40LaO8 — CID 5245936

IUPAClanthanum;tris(pentane-2,4-diol);dihydrate
SMILESCC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.O.O.[La]
InChIInChI=1S/3C5H12O2.La.2H2O/c3*1-4(6)3-5(2)7;;;/h3*4-7H,3H2,1-2H3;;2*1H2
InChIKeyDWVXQLZCBXRVKN-UHFFFAOYSA-N
MW487.38 g/mol
LogP-1.24
Rot. Bonds6

About lanthanum;tris(pentane-2,4-diol);dihydrate

lanthanum;tris(pentane-2,4-diol);dihydrate (PubChem CID 5245936) has the molecular formula C15H40LaO8 and a molecular weight of 487.38 g/mol. Its IUPAC name is lanthanum;tris(pentane-2,4-diol);dihydrate.

Molecular Properties

Compound Namelanthanum;tris(pentane-2,4-diol);dihydrate
PubChem CID5245936
Molecular FormulaC15H40LaO8
Molecular Weight487.38 g/mol
Exact Mass487.18
IUPAC Namelanthanum;tris(pentane-2,4-diol);dihydrate
SMILESCC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.O.O.[La]
InChIInChI=1S/3C5H12O2.La.2H2O/c3*1-4(6)3-5(2)7;;;/h3*4-7H,3H2,1-2H3;;2*1H2
InChIKeyDWVXQLZCBXRVKN-UHFFFAOYSA-N
XLogP-1.24
TPSA184.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.38
LogP ≤ 5-1.24
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze lanthanum;tris(pentane-2,4-diol);dihydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 6395570
CID 6395570
tris(pentane-2,4-diol);ruthenium
CID 5231187
europium;tetrakis(pentane-2,4-diol)
CID 59946569
copper bis(pentane-2,4-diol)
CID 135036707
palladium;bis(pentane-2,4-diol)
CID 58773675
iron(2+);bis(pentane-2,4-diol)
CID 161218003
carbanide;bis(pentane-2,4-diol);titanium(2+)
CID 58114426
oxotitanium;bis(pentane-2,4-diol)
CID 166004724
1-(1-hydroxyethylphosphanyl)ethanol;methane;pentane-2,4-diol
CID 159129228
4-methylpentan-2-ol;titanium
CID 158071265
4-methylpentan-2-ol;zinc
CID 158419154
methane;(2R)-4-methylpentan-2-ol
CID 159585988

Frequently Asked Questions

What is the IUPAC name of lanthanum;tris(pentane-2,4-diol);dihydrate?
The IUPAC name of lanthanum;tris(pentane-2,4-diol);dihydrate (CID 5245936) is lanthanum;tris(pentane-2,4-diol);dihydrate.
What is the SMILES notation for lanthanum;tris(pentane-2,4-diol);dihydrate?
The canonical SMILES for lanthanum;tris(pentane-2,4-diol);dihydrate is CC(O)CC(C)O.CC(O)CC(C)O.CC(O)CC(C)O.O.O.[La].
What is the InChIKey of lanthanum;tris(pentane-2,4-diol);dihydrate?
The InChIKey is DWVXQLZCBXRVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C5H12O2.La.2H2O/c3*1-4(6)3-5(2)7;;;/h3*4-7H,3H2,1-2H3;;2*1H2.
What are the key properties of lanthanum;tris(pentane-2,4-diol);dihydrate?
lanthanum;tris(pentane-2,4-diol);dihydrate has a molecular weight of 487.38 g/mol, XLogP of -1.24, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lanthanum;tris(pentane-2,4-diol);dihydrate is sourced from PubChem (CID 5245936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).