CID 6389258

C56H88CoLi2O6 — CID 6389258

IUPAC—
SMILESC1CCOC1.C1CCOC1.CC(C)c1cccc(C(C)C)c1O.CC(C)c1cccc(C(C)C)c1O.CC(C)c1cccc(C(C)C)c1O.CC(C)c1cccc(C(C)C)c1O.[Co].[Li].[Li]
InChIInChI=1S/4C12H18O.2C4H8O.Co.2Li/c4*1-8(2)10-6-5-7-11(9(3)4)12(10)13;2*1-2-4-5-3-1;;;/h4*5-9,13H,1-4H3;2*1-4H2;;;
InChIKeyKTVUOEBDYUEBOU-UHFFFAOYSA-N
MW930.13 g/mol
LogP15.39
Rot. Bonds8

About CID 6389258

CID 6389258 (PubChem CID 6389258) has the molecular formula C56H88CoLi2O6 and a molecular weight of 930.13 g/mol.

Molecular Properties

Compound NameCID 6389258
PubChem CID6389258
Molecular FormulaC56H88CoLi2O6
Molecular Weight930.13 g/mol
Exact Mass929.62
IUPAC Name—
SMILESC1CCOC1.C1CCOC1.CC(C)c1cccc(C(C)C)c1O.CC(C)c1cccc(C(C)C)c1O.CC(C)c1cccc(C(C)C)c1O.CC(C)c1cccc(C(C)C)c1O.[Co].[Li].[Li]
InChIInChI=1S/4C12H18O.2C4H8O.Co.2Li/c4*1-8(2)10-6-5-7-11(9(3)4)12(10)13;2*1-2-4-5-3-1;;;/h4*5-9,13H,1-4H3;2*1-4H2;;;
InChIKeyKTVUOEBDYUEBOU-UHFFFAOYSA-N
XLogP15.39
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500930.13
LogP ≤ 515.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-di(propan-2-yl)phenol;silver
CID 174803720
tris(cyclopentane);tris(2,6-di(propan-2-yl)phenol);sulfanide;titanium;titanium(3+)
CID 23228869
tris(2,6-di(propan-2-yl)phenolate);lanthanum(3+);oxolane
CID 139157940
bis(2,6-di(propan-2-yl)phenol);titanium;dihydrochloride
CID 87638377
bis(2,6-di(propan-2-yl)phenol);titanium(2+);dichloride
CID 87638376
dimethylalumane;tris(2,6-di(propan-2-yl)phenol)
CID 173121880
tris(2,6-di(propan-2-yl)phenolate);neodymium(3+);oxolane;toluene
CID 139157933
CID 162414939
CID 162414939
2-[(1R)-1-cyclobutylethyl]-6-propan-2-ylphenol;ethane
CID 144742888
9-N,10-N-bis[2,6-di(propan-2-yl)phenyl]phenanthrene-9,10-diimine;oxolane
CID 139157818
diaminogallylpotassium
CID 139033961
2-(1-methylsulfanylethyl)-6-propan-2-ylphenol
CID 170547306

Frequently Asked Questions

What is the IUPAC name of CID 6389258?
The IUPAC name of CID 6389258 (CID 6389258) is not available.
What is the SMILES notation for CID 6389258?
The canonical SMILES for CID 6389258 is C1CCOC1.C1CCOC1.CC(C)c1cccc(C(C)C)c1O.CC(C)c1cccc(C(C)C)c1O.CC(C)c1cccc(C(C)C)c1O.CC(C)c1cccc(C(C)C)c1O.[Co].[Li].[Li].
What is the InChIKey of CID 6389258?
The InChIKey is KTVUOEBDYUEBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/4C12H18O.2C4H8O.Co.2Li/c4*1-8(2)10-6-5-7-11(9(3)4)12(10)13;2*1-2-4-5-3-1;;;/h4*5-9,13H,1-4H3;2*1-4H2;;;.
What are the key properties of CID 6389258?
CID 6389258 has a molecular weight of 930.13 g/mol, XLogP of 15.39, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6389258 is sourced from PubChem (CID 6389258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).