chromium(4+);bis(cyclopenta-1,3-diene);dichloride

C10H10Cl2Cr — CID 158887640

IUPACchromium(4+);bis(cyclopenta-1,3-diene);dichloride
SMILES[Cl-].[Cl-].[Cr+4].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/2C5H5.2ClH.Cr/c2*1-2-4-5-3-1;;;/h2*1-5H;2*1H;/q2*-1;;;+4/p-2
InChIKeySHTZMJLWAYGWNB-UHFFFAOYSA-L
MW253.09 g/mol
LogP-3.18
Rot. Bonds

About chromium(4+);bis(cyclopenta-1,3-diene);dichloride

chromium(4+);bis(cyclopenta-1,3-diene);dichloride (PubChem CID 158887640) has the molecular formula C10H10Cl2Cr and a molecular weight of 253.09 g/mol. Its IUPAC name is chromium(4+);bis(cyclopenta-1,3-diene);dichloride.

Molecular Properties

Compound Namechromium(4+);bis(cyclopenta-1,3-diene);dichloride
PubChem CID158887640
Molecular FormulaC10H10Cl2Cr
Molecular Weight253.09 g/mol
Exact Mass251.96
IUPAC Namechromium(4+);bis(cyclopenta-1,3-diene);dichloride
SMILES[Cl-].[Cl-].[Cr+4].c1cc[cH-]c1.c1cc[cH-]c1
InChIInChI=1S/2C5H5.2ClH.Cr/c2*1-2-4-5-3-1;;;/h2*1-5H;2*1H;/q2*-1;;;+4/p-2
InChIKeySHTZMJLWAYGWNB-UHFFFAOYSA-L
XLogP-3.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.09
LogP ≤ 5-3.18
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 chromium(4+);bis(cyclopenta-1,3-diene);dichloride?
The IUPAC name of chromium(4+);bis(cyclopenta-1,3-diene);dichloride (CID 158887640) is chromium(4+);bis(cyclopenta-1,3-diene);dichloride.
What is the SMILES notation for chromium(4+);bis(cyclopenta-1,3-diene);dichloride?
The canonical SMILES for chromium(4+);bis(cyclopenta-1,3-diene);dichloride is [Cl-].[Cl-].[Cr+4].c1cc[cH-]c1.c1cc[cH-]c1.
What is the InChIKey of chromium(4+);bis(cyclopenta-1,3-diene);dichloride?
The InChIKey is SHTZMJLWAYGWNB-UHFFFAOYSA-L. The full InChI is InChI=1S/2C5H5.2ClH.Cr/c2*1-2-4-5-3-1;;;/h2*1-5H;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of chromium(4+);bis(cyclopenta-1,3-diene);dichloride?
chromium(4+);bis(cyclopenta-1,3-diene);dichloride has a molecular weight of 253.09 g/mol, XLogP of -3.18, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chromium(4+);bis(cyclopenta-1,3-diene);dichloride is sourced from PubChem (CID 158887640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).