tetrakis(chromium(5+));tris(cyclopenta-1,3-diene);cyclopentane;tetrahydrate

C20H28Cr4O4+12 — CID 11985546

IUPACtetrakis(chromium(5+));tris(cyclopenta-1,3-diene);cyclopentane;tetrahydrate
SMILESO.O.O.O.[Cr+5].[Cr+5].[Cr+5].[Cr+5].[cH-]1[cH-][cH-][cH-][cH-]1.c1cc[cH-]c1.c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/4C5H5.4Cr.4H2O/c4*1-2-4-5-3-1;;;;;;;;/h4*1-5H;;;;;4*1H2/q-5;3*-1;4*+5;;;;
InChIKeyMKULNURHPZLAKT-UHFFFAOYSA-N
MW540.42 g/mol
LogP2.31
Rot. Bonds

About tetrakis(chromium(5+));tris(cyclopenta-1,3-diene);cyclopentane;tetrahydrate

tetrakis(chromium(5+));tris(cyclopenta-1,3-diene);cyclopentane;tetrahydrate (PubChem CID 11985546) has the molecular formula C20H28Cr4O4+12 and a molecular weight of 540.42 g/mol. Its IUPAC name is tetrakis(chromium(5+));tris(cyclopenta-1,3-diene);cyclopentane;tetrahydrate.

Molecular Properties

Compound Nametetrakis(chromium(5+));tris(cyclopenta-1,3-diene);cyclopentane;tetrahydrate
PubChem CID11985546
Molecular FormulaC20H28Cr4O4+12
Molecular Weight540.42 g/mol
Exact Mass539.95
IUPAC Nametetrakis(chromium(5+));tris(cyclopenta-1,3-diene);cyclopentane;tetrahydrate
SMILESO.O.O.O.[Cr+5].[Cr+5].[Cr+5].[Cr+5].[cH-]1[cH-][cH-][cH-][cH-]1.c1cc[cH-]c1.c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/4C5H5.4Cr.4H2O/c4*1-2-4-5-3-1;;;;;;;;/h4*1-5H;;;;;4*1H2/q-5;3*-1;4*+5;;;;
InChIKeyMKULNURHPZLAKT-UHFFFAOYSA-N
XLogP2.31
TPSA126.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.42
LogP ≤ 52.31
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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Frequently Asked Questions

What is the IUPAC name of tetrakis(chromium(5+));tris(cyclopenta-1,3-diene);cyclopentane;tetrahydrate?
The IUPAC name of tetrakis(chromium(5+));tris(cyclopenta-1,3-diene);cyclopentane;tetrahydrate (CID 11985546) is tetrakis(chromium(5+));tris(cyclopenta-1,3-diene);cyclopentane;tetrahydrate.
What is the SMILES notation for tetrakis(chromium(5+));tris(cyclopenta-1,3-diene);cyclopentane;tetrahydrate?
The canonical SMILES for tetrakis(chromium(5+));tris(cyclopenta-1,3-diene);cyclopentane;tetrahydrate is O.O.O.O.[Cr+5].[Cr+5].[Cr+5].[Cr+5].[cH-]1[cH-][cH-][cH-][cH-]1.c1cc[cH-]c1.c1cc[cH-]c1.c1cc[cH-]c1.
What is the InChIKey of tetrakis(chromium(5+));tris(cyclopenta-1,3-diene);cyclopentane;tetrahydrate?
The InChIKey is MKULNURHPZLAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/4C5H5.4Cr.4H2O/c4*1-2-4-5-3-1;;;;;;;;/h4*1-5H;;;;;4*1H2/q-5;3*-1;4*+5;;;;.
What are the key properties of tetrakis(chromium(5+));tris(cyclopenta-1,3-diene);cyclopentane;tetrahydrate?
tetrakis(chromium(5+));tris(cyclopenta-1,3-diene);cyclopentane;tetrahydrate has a molecular weight of 540.42 g/mol, XLogP of 2.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(chromium(5+));tris(cyclopenta-1,3-diene);cyclopentane;tetrahydrate is sourced from PubChem (CID 11985546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).