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

C20H28Cr4O4+16 — CID 42619259

IUPACtetrakis(chromium(5+));tetrakis(cyclopenta-1,3-diene);tetrahydrate
SMILESO.O.O.O.[Cr+5].[Cr+5].[Cr+5].[Cr+5].c1cc[cH-]c1.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/q4*-1;4*+5;;;;
InChIKeyZWUOAZKWANTGIL-UHFFFAOYSA-N
MW540.42 g/mol
LogP2.31
Rot. Bonds

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

tetrakis(chromium(5+));tetrakis(cyclopenta-1,3-diene);tetrahydrate (PubChem CID 42619259) has the molecular formula C20H28Cr4O4+16 and a molecular weight of 540.42 g/mol. Its IUPAC name is tetrakis(chromium(5+));tetrakis(cyclopenta-1,3-diene);tetrahydrate.

Molecular Properties

Compound Nametetrakis(chromium(5+));tetrakis(cyclopenta-1,3-diene);tetrahydrate
PubChem CID42619259
Molecular FormulaC20H28Cr4O4+16
Molecular Weight540.42 g/mol
Exact Mass539.95
IUPAC Nametetrakis(chromium(5+));tetrakis(cyclopenta-1,3-diene);tetrahydrate
SMILESO.O.O.O.[Cr+5].[Cr+5].[Cr+5].[Cr+5].c1cc[cH-]c1.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/q4*-1;4*+5;;;;
InChIKeyZWUOAZKWANTGIL-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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Related Compounds

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dilithium;cycloocta-1,3,6-triene
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CID 139939973
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Frequently Asked Questions

What is the IUPAC name of tetrakis(chromium(5+));tetrakis(cyclopenta-1,3-diene);tetrahydrate?
The IUPAC name of tetrakis(chromium(5+));tetrakis(cyclopenta-1,3-diene);tetrahydrate (CID 42619259) is tetrakis(chromium(5+));tetrakis(cyclopenta-1,3-diene);tetrahydrate.
What is the SMILES notation for tetrakis(chromium(5+));tetrakis(cyclopenta-1,3-diene);tetrahydrate?
The canonical SMILES for tetrakis(chromium(5+));tetrakis(cyclopenta-1,3-diene);tetrahydrate is O.O.O.O.[Cr+5].[Cr+5].[Cr+5].[Cr+5].c1cc[cH-]c1.c1cc[cH-]c1.c1cc[cH-]c1.c1cc[cH-]c1.
What is the InChIKey of tetrakis(chromium(5+));tetrakis(cyclopenta-1,3-diene);tetrahydrate?
The InChIKey is ZWUOAZKWANTGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/4C5H5.4Cr.4H2O/c4*1-2-4-5-3-1;;;;;;;;/h4*1-5H;;;;;4*1H2/q4*-1;4*+5;;;;.
What are the key properties of tetrakis(chromium(5+));tetrakis(cyclopenta-1,3-diene);tetrahydrate?
tetrakis(chromium(5+));tetrakis(cyclopenta-1,3-diene);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+));tetrakis(cyclopenta-1,3-diene);tetrahydrate is sourced from PubChem (CID 42619259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).