oxolane;trichlorosamarium

C4H8Cl3OSm — CID 175364803

IUPACoxolane;trichlorosamarium
SMILESC1CCOC1.Cl[Sm](Cl)Cl
InChIInChI=1S/C4H8O.3ClH.Sm/c1-2-4-5-3-1;;;;/h1-4H2;3*1H;/q;;;;+3/p-3
InChIKeyOZUMNAZTDVWEKD-UHFFFAOYSA-K
MW328.83 g/mol
LogP2.87
Rot. Bonds

About oxolane;trichlorosamarium

oxolane;trichlorosamarium (PubChem CID 175364803) has the molecular formula C4H8Cl3OSm and a molecular weight of 328.83 g/mol. Its IUPAC name is oxolane;trichlorosamarium.

Molecular Properties

Compound Nameoxolane;trichlorosamarium
PubChem CID175364803
Molecular FormulaC4H8Cl3OSm
Molecular Weight328.83 g/mol
Exact Mass328.88
IUPAC Nameoxolane;trichlorosamarium
SMILESC1CCOC1.Cl[Sm](Cl)Cl
InChIInChI=1S/C4H8O.3ClH.Sm/c1-2-4-5-3-1;;;;/h1-4H2;3*1H;/q;;;;+3/p-3
InChIKeyOZUMNAZTDVWEKD-UHFFFAOYSA-K
XLogP2.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.83
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of oxolane;trichlorosamarium?
The IUPAC name of oxolane;trichlorosamarium (CID 175364803) is oxolane;trichlorosamarium.
What is the SMILES notation for oxolane;trichlorosamarium?
The canonical SMILES for oxolane;trichlorosamarium is C1CCOC1.Cl[Sm](Cl)Cl.
What is the InChIKey of oxolane;trichlorosamarium?
The InChIKey is OZUMNAZTDVWEKD-UHFFFAOYSA-K. The full InChI is InChI=1S/C4H8O.3ClH.Sm/c1-2-4-5-3-1;;;;/h1-4H2;3*1H;/q;;;;+3/p-3.
What are the key properties of oxolane;trichlorosamarium?
oxolane;trichlorosamarium has a molecular weight of 328.83 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oxolane;trichlorosamarium is sourced from PubChem (CID 175364803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).