chromium(2+);bis(1-methylcyclopenta-1,3-diene)

C12H14Cr — CID 160665189

IUPACchromium(2+);bis(1-methylcyclopenta-1,3-diene)
SMILESCc1ccc[cH-]1.Cc1ccc[cH-]1.[Cr+2]
InChIInChI=1S/2C6H7.Cr/c2*1-6-4-2-3-5-6;/h2*2-5H,1H3;/q2*-1;+2
InChIKeyRMEVYMVMJMKSHB-UHFFFAOYSA-N
MW210.24 g/mol
LogP3.43
Rot. Bonds

About chromium(2+);bis(1-methylcyclopenta-1,3-diene)

chromium(2+);bis(1-methylcyclopenta-1,3-diene) (PubChem CID 160665189) has the molecular formula C12H14Cr and a molecular weight of 210.24 g/mol. Its IUPAC name is chromium(2+);bis(1-methylcyclopenta-1,3-diene).

Molecular Properties

Compound Namechromium(2+);bis(1-methylcyclopenta-1,3-diene)
PubChem CID160665189
Molecular FormulaC12H14Cr
Molecular Weight210.24 g/mol
Exact Mass210.05
IUPAC Namechromium(2+);bis(1-methylcyclopenta-1,3-diene)
SMILESCc1ccc[cH-]1.Cc1ccc[cH-]1.[Cr+2]
InChIInChI=1S/2C6H7.Cr/c2*1-6-4-2-3-5-6;/h2*2-5H,1H3;/q2*-1;+2
InChIKeyRMEVYMVMJMKSHB-UHFFFAOYSA-N
XLogP3.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 53.43
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

bis(1-methylcyclopenta-1,3-diene);zirconium(2+)
CID 131719615
cobalt;tris(cyclopenta-1,3-diene);1-methylcyclopenta-1,3-diene
CID 158473034
carbon monoxide;hydride;1-methylcyclopenta-1,3-diene;tungsten(2+)
CID 134694826
carbanide;bis(cyclopenta-1,3-diene);1-ethylcyclopenta-1,3-diene;bis(iron(4+));methane;1-methylcyclopenta-1,3-diene
CID 158519657
chromium(2+);bis(cyclopenta-1,3-dien-1-amine)
CID 175973663
azanide;carbon monoxide;cyclopenta-1,3-diene;iron;iron(2+);manganese(3+);bis(1-methylcyclopenta-1,3-diene);nitroxyl anion;tetraphenylboranuide
CID 139264509
cyclopenta-1,3-dien-1-ylazanide
CID 15802369
bis(1-ethylcyclopenta-1,3-diene);titanium(2+)
CID 172701358
chromium(2+);bis(cyclopenta-1,3-dien-1-yl-bis(2,3,4-trimethylphenyl)phosphane)
CID 157416744
bis(1-iodocyclopenta-1,3-diene);ruthenium(2+)
CID 158276340
bis(cyclopenta-1,3-dien-1-ylmethyl(trimethyl)silane);hafnium
CID 175893047
CID 159303367
CID 159303367

Frequently Asked Questions

What is the IUPAC name of chromium(2+);bis(1-methylcyclopenta-1,3-diene)?
The IUPAC name of chromium(2+);bis(1-methylcyclopenta-1,3-diene) (CID 160665189) is chromium(2+);bis(1-methylcyclopenta-1,3-diene).
What is the SMILES notation for chromium(2+);bis(1-methylcyclopenta-1,3-diene)?
The canonical SMILES for chromium(2+);bis(1-methylcyclopenta-1,3-diene) is Cc1ccc[cH-]1.Cc1ccc[cH-]1.[Cr+2].
What is the InChIKey of chromium(2+);bis(1-methylcyclopenta-1,3-diene)?
The InChIKey is RMEVYMVMJMKSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H7.Cr/c2*1-6-4-2-3-5-6;/h2*2-5H,1H3;/q2*-1;+2.
What are the key properties of chromium(2+);bis(1-methylcyclopenta-1,3-diene)?
chromium(2+);bis(1-methylcyclopenta-1,3-diene) has a molecular weight of 210.24 g/mol, XLogP of 3.43, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chromium(2+);bis(1-methylcyclopenta-1,3-diene) is sourced from PubChem (CID 160665189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).