lanthanum;tris(2-methyl-1-propoxypropan-2-ol)

C21H48LaO6 — CID 87836481

IUPAClanthanum;tris(2-methyl-1-propoxypropan-2-ol)
SMILESCCCOCC(C)(C)O.CCCOCC(C)(C)O.CCCOCC(C)(C)O.[La]
InChIInChI=1S/3C7H16O2.La/c3*1-4-5-9-6-7(2,3)8;/h3*8H,4-6H2,1-3H3;
InChIKeyUOZHNEUGDVPYSU-UHFFFAOYSA-N
MW535.52 g/mol
LogP3.55
Rot. Bonds12

About lanthanum;tris(2-methyl-1-propoxypropan-2-ol)

lanthanum;tris(2-methyl-1-propoxypropan-2-ol) (PubChem CID 87836481) has the molecular formula C21H48LaO6 and a molecular weight of 535.52 g/mol. Its IUPAC name is lanthanum;tris(2-methyl-1-propoxypropan-2-ol).

Molecular Properties

Compound Namelanthanum;tris(2-methyl-1-propoxypropan-2-ol)
PubChem CID87836481
Molecular FormulaC21H48LaO6
Molecular Weight535.52 g/mol
Exact Mass535.25
IUPAC Namelanthanum;tris(2-methyl-1-propoxypropan-2-ol)
SMILESCCCOCC(C)(C)O.CCCOCC(C)(C)O.CCCOCC(C)(C)O.[La]
InChIInChI=1S/3C7H16O2.La/c3*1-4-5-9-6-7(2,3)8;/h3*8H,4-6H2,1-3H3;
InChIKeyUOZHNEUGDVPYSU-UHFFFAOYSA-N
XLogP3.55
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.52
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propane-2,2-diol
CID 57214605
1-(2-ethoxyethoxy)-2-methylpropan-2-ol
CID 20617821
2-methyl-1-propoxypentan-2-ol
CID 80558596
3-(propoxymethyl)pentan-3-ol
CID 79567363
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylpropan-2-ol
CID 176872926
2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-2-ol
CID 123858699
2,2-dichloro-1-propoxypropane
CID 91753628
2,2-dibromo-1-propoxypropane
CID 87234864
2,2-dimethoxy-1-propoxypropane
CID 56997351
1-[2-(2-hydroxypropoxy)ethoxy]-2-methylpropan-2-ol
CID 123505262
3-ethyl-3-(propoxymethyl)pentane
CID 21035931
1,1,1,3,3,3-hexafluoro-2-methyl-2-(propoxymethyl)propane
CID 20802182

Frequently Asked Questions

What is the IUPAC name of lanthanum;tris(2-methyl-1-propoxypropan-2-ol)?
The IUPAC name of lanthanum;tris(2-methyl-1-propoxypropan-2-ol) (CID 87836481) is lanthanum;tris(2-methyl-1-propoxypropan-2-ol).
What is the SMILES notation for lanthanum;tris(2-methyl-1-propoxypropan-2-ol)?
The canonical SMILES for lanthanum;tris(2-methyl-1-propoxypropan-2-ol) is CCCOCC(C)(C)O.CCCOCC(C)(C)O.CCCOCC(C)(C)O.[La].
What is the InChIKey of lanthanum;tris(2-methyl-1-propoxypropan-2-ol)?
The InChIKey is UOZHNEUGDVPYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H16O2.La/c3*1-4-5-9-6-7(2,3)8;/h3*8H,4-6H2,1-3H3;.
What are the key properties of lanthanum;tris(2-methyl-1-propoxypropan-2-ol)?
lanthanum;tris(2-methyl-1-propoxypropan-2-ol) has a molecular weight of 535.52 g/mol, XLogP of 3.55, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lanthanum;tris(2-methyl-1-propoxypropan-2-ol) is sourced from PubChem (CID 87836481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).