CID 134902799

C27H49CeLi2O3 — CID 134902799

IUPAC—
SMILESC1CCOC1.C1CCOC1.C1CCOC1.[CH2][CH][CH2].[CH2][CH][CH2].[CH2][CH][CH2].[CH2][CH][CH2].[CH2][CH][CH2].[Ce].[Li].[Li]
InChIInChI=1S/3C4H8O.5C3H5.Ce.2Li/c3*1-2-4-5-3-1;5*1-3-2;;;/h3*1-4H2;5*3H,1-2H2;;;
InChIKeyILFCGXHHECFSMR-UHFFFAOYSA-N
MW575.68 g/mol
LogP5.92
Rot. Bonds

About CID 134902799

CID 134902799 (PubChem CID 134902799) has the molecular formula C27H49CeLi2O3 and a molecular weight of 575.68 g/mol.

Molecular Properties

Compound NameCID 134902799
PubChem CID134902799
Molecular FormulaC27H49CeLi2O3
Molecular Weight575.68 g/mol
Exact Mass575.31
IUPAC Name—
SMILESC1CCOC1.C1CCOC1.C1CCOC1.[CH2][CH][CH2].[CH2][CH][CH2].[CH2][CH][CH2].[CH2][CH][CH2].[CH2][CH][CH2].[Ce].[Li].[Li]
InChIInChI=1S/3C4H8O.5C3H5.Ce.2Li/c3*1-2-4-5-3-1;5*1-3-2;;;/h3*1-4H2;5*3H,1-2H2;;;
InChIKeyILFCGXHHECFSMR-UHFFFAOYSA-N
XLogP5.92
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.68
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 134902799?
The IUPAC name of CID 134902799 (CID 134902799) is not available.
What is the SMILES notation for CID 134902799?
The canonical SMILES for CID 134902799 is C1CCOC1.C1CCOC1.C1CCOC1.[CH2][CH][CH2].[CH2][CH][CH2].[CH2][CH][CH2].[CH2][CH][CH2].[CH2][CH][CH2].[Ce].[Li].[Li].
What is the InChIKey of CID 134902799?
The InChIKey is ILFCGXHHECFSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H8O.5C3H5.Ce.2Li/c3*1-2-4-5-3-1;5*1-3-2;;;/h3*1-4H2;5*3H,1-2H2;;;.
What are the key properties of CID 134902799?
CID 134902799 has a molecular weight of 575.68 g/mol, XLogP of 5.92, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134902799 is sourced from PubChem (CID 134902799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).