ethane;lanthanum;2-methylpentane

C8H18La-2 — CID 154248830

IUPACethane;lanthanum;2-methylpentane
SMILES[CH2-]C.[CH2-]CCC(C)C.[La]
InChIInChI=1S/C6H13.C2H5.La/c1-4-5-6(2)3;1-2;/h6H,1,4-5H2,2-3H3;1H2,2H3;/q2*-1;
InChIKeyCJJPIFYRQGIRIZ-UHFFFAOYSA-N
MW253.14 g/mol
LogP3.10
Rot. Bonds2

About ethane;lanthanum;2-methylpentane

ethane;lanthanum;2-methylpentane (PubChem CID 154248830) has the molecular formula C8H18La-2 and a molecular weight of 253.14 g/mol. Its IUPAC name is ethane;lanthanum;2-methylpentane.

Molecular Properties

Compound Nameethane;lanthanum;2-methylpentane
PubChem CID154248830
Molecular FormulaC8H18La-2
Molecular Weight253.14 g/mol
Exact Mass253.05
IUPAC Nameethane;lanthanum;2-methylpentane
SMILES[CH2-]C.[CH2-]CCC(C)C.[La]
InChIInChI=1S/C6H13.C2H5.La/c1-4-5-6(2)3;1-2;/h6H,1,4-5H2,2-3H3;1H2,2H3;/q2*-1;
InChIKeyCJJPIFYRQGIRIZ-UHFFFAOYSA-N
XLogP3.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.14
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-methylpentane;rubidium(1+)
CID 163579122
zinc bis(2-methylpentane)
CID 11481754
tris(2-methylpentane);zirconium(3+);hydrate
CID 164789251
bis(2-methylpentane);titanium(2+);hydrate
CID 175523357
2-methylpentane;zirconium(4+);trihydroxide
CID 172719510
tetrakis(2-methylhexane);titanium(4+)
CID 164789244
cobalt;2-methylheptane
CID 170567086
tris(2-methylheptadecane);titanium(3+)
CID 23174974
2-methylnonane;titanium;hydrate
CID 174186153
magnesium;2-methylheptane;propane
CID 140617225
2-methyloctane;titanium(4+);trihydroxide
CID 174186181
2,5-dimethylheptane
CID 90756934

Frequently Asked Questions

What is the IUPAC name of ethane;lanthanum;2-methylpentane?
The IUPAC name of ethane;lanthanum;2-methylpentane (CID 154248830) is ethane;lanthanum;2-methylpentane.
What is the SMILES notation for ethane;lanthanum;2-methylpentane?
The canonical SMILES for ethane;lanthanum;2-methylpentane is [CH2-]C.[CH2-]CCC(C)C.[La].
What is the InChIKey of ethane;lanthanum;2-methylpentane?
The InChIKey is CJJPIFYRQGIRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13.C2H5.La/c1-4-5-6(2)3;1-2;/h6H,1,4-5H2,2-3H3;1H2,2H3;/q2*-1;.
What are the key properties of ethane;lanthanum;2-methylpentane?
ethane;lanthanum;2-methylpentane has a molecular weight of 253.14 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;lanthanum;2-methylpentane is sourced from PubChem (CID 154248830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).