lithium;cerium(3+);tetrakis(dicyclohexylazanide);oxolane

C52H96CeLiN4O — CID 139184074

IUPAClithium;cerium(3+);tetrakis(dicyclohexylazanide);oxolane
SMILESC1CCC([N-]C2CCCCC2)CC1.C1CCC([N-]C2CCCCC2)CC1.C1CCC([N-]C2CCCCC2)CC1.C1CCC([N-]C2CCCCC2)CC1.C1CCOC1.[Ce+3].[Li+]
InChIInChI=1S/4C12H22N.C4H8O.Ce.Li/c4*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-4-5-3-1;;/h4*11-12H,1-10H2;1-4H2;;/q4*-1;;+3;+1
InChIKeyLGFSCBNANRRDCX-UHFFFAOYSA-N
MW940.42 g/mol
LogP13.90
Rot. Bonds8

About lithium;cerium(3+);tetrakis(dicyclohexylazanide);oxolane

lithium;cerium(3+);tetrakis(dicyclohexylazanide);oxolane (PubChem CID 139184074) has the molecular formula C52H96CeLiN4O and a molecular weight of 940.42 g/mol. Its IUPAC name is lithium;cerium(3+);tetrakis(dicyclohexylazanide);oxolane.

Molecular Properties

Compound Namelithium;cerium(3+);tetrakis(dicyclohexylazanide);oxolane
PubChem CID139184074
Molecular FormulaC52H96CeLiN4O
Molecular Weight940.42 g/mol
Exact Mass939.68
IUPAC Namelithium;cerium(3+);tetrakis(dicyclohexylazanide);oxolane
SMILESC1CCC([N-]C2CCCCC2)CC1.C1CCC([N-]C2CCCCC2)CC1.C1CCC([N-]C2CCCCC2)CC1.C1CCC([N-]C2CCCCC2)CC1.C1CCOC1.[Ce+3].[Li+]
InChIInChI=1S/4C12H22N.C4H8O.Ce.Li/c4*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-4-5-3-1;;/h4*11-12H,1-10H2;1-4H2;;/q4*-1;;+3;+1
InChIKeyLGFSCBNANRRDCX-UHFFFAOYSA-N
XLogP13.90
TPSA65.63 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500940.42
LogP ≤ 513.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of lithium;cerium(3+);tetrakis(dicyclohexylazanide);oxolane?
The IUPAC name of lithium;cerium(3+);tetrakis(dicyclohexylazanide);oxolane (CID 139184074) is lithium;cerium(3+);tetrakis(dicyclohexylazanide);oxolane.
What is the SMILES notation for lithium;cerium(3+);tetrakis(dicyclohexylazanide);oxolane?
The canonical SMILES for lithium;cerium(3+);tetrakis(dicyclohexylazanide);oxolane is C1CCC([N-]C2CCCCC2)CC1.C1CCC([N-]C2CCCCC2)CC1.C1CCC([N-]C2CCCCC2)CC1.C1CCC([N-]C2CCCCC2)CC1.C1CCOC1.[Ce+3].[Li+].
What is the InChIKey of lithium;cerium(3+);tetrakis(dicyclohexylazanide);oxolane?
The InChIKey is LGFSCBNANRRDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/4C12H22N.C4H8O.Ce.Li/c4*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-4-5-3-1;;/h4*11-12H,1-10H2;1-4H2;;/q4*-1;;+3;+1.
What are the key properties of lithium;cerium(3+);tetrakis(dicyclohexylazanide);oxolane?
lithium;cerium(3+);tetrakis(dicyclohexylazanide);oxolane has a molecular weight of 940.42 g/mol, XLogP of 13.90, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;cerium(3+);tetrakis(dicyclohexylazanide);oxolane is sourced from PubChem (CID 139184074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).