carbanide;chromium(3+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene

C12H21Cr — CID 139722502

IUPACcarbanide;chromium(3+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene
SMILESCc1c(C)c(C)[c-](C)c1C.[CH3-].[CH3-].[Cr+3]
InChIInChI=1S/C10H15.2CH3.Cr/c1-6-7(2)9(4)10(5)8(6)3;;;/h1-5H3;2*1H3;/q3*-1;+3
InChIKeyNRHISZYXZKPROD-UHFFFAOYSA-N
MW217.30 g/mol
LogP3.85
Rot. Bonds

About carbanide;chromium(3+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene

carbanide;chromium(3+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene (PubChem CID 139722502) has the molecular formula C12H21Cr and a molecular weight of 217.30 g/mol. Its IUPAC name is carbanide;chromium(3+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene.

Molecular Properties

Compound Namecarbanide;chromium(3+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene
PubChem CID139722502
Molecular FormulaC12H21Cr
Molecular Weight217.30 g/mol
Exact Mass217.10
IUPAC Namecarbanide;chromium(3+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene
SMILESCc1c(C)c(C)[c-](C)c1C.[CH3-].[CH3-].[Cr+3]
InChIInChI=1S/C10H15.2CH3.Cr/c1-6-7(2)9(4)10(5)8(6)3;;;/h1-5H3;2*1H3;/q3*-1;+3
InChIKeyNRHISZYXZKPROD-UHFFFAOYSA-N
XLogP3.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.30
LogP ≤ 53.85
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

carbanide;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;tantalum(5+)
CID 15777144
nickel(2+);bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene)
CID 5148230
1,2,3,4,5-pentamethylcyclopenta-1,3-diene;ruthenium(2+)
CID 154465312
iron;1,2,3,4,5-pentamethylcyclopenta-1,3-diene
CID 141410099
nickel;1,2,3,4,5-pentamethylcyclopenta-1,3-diene
CID 141169485
hafnium(4+);bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);dichloride
CID 87375739
bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);bis(titanium(4+));diiodide
CID 172696941
cobalt;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene);1,2,3,4,5-pentamethylcyclopentane
CID 11987162
methanol;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;titanium
CID 5148204
CID 11325153
CID 11325153
nickel;1,2,3,4,5-pentamethylcyclopenta-1,3-diene;1,2,3,4,5-pentamethylcyclopentane
CID 11984772
dichloromolybdenum;bis(1,2,3,4,5-pentamethylcyclopenta-1,3-diene)
CID 155669320

Frequently Asked Questions

What is the IUPAC name of carbanide;chromium(3+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
The IUPAC name of carbanide;chromium(3+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene (CID 139722502) is carbanide;chromium(3+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene.
What is the SMILES notation for carbanide;chromium(3+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
The canonical SMILES for carbanide;chromium(3+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene is Cc1c(C)c(C)[c-](C)c1C.[CH3-].[CH3-].[Cr+3].
What is the InChIKey of carbanide;chromium(3+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
The InChIKey is NRHISZYXZKPROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15.2CH3.Cr/c1-6-7(2)9(4)10(5)8(6)3;;;/h1-5H3;2*1H3;/q3*-1;+3.
What are the key properties of carbanide;chromium(3+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene?
carbanide;chromium(3+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene has a molecular weight of 217.30 g/mol, XLogP of 3.85, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;chromium(3+);1,2,3,4,5-pentamethylcyclopenta-1,3-diene is sourced from PubChem (CID 139722502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).