chromium(3+);tris(3-ethyl-2-methanidyl-2,5-dimethylhexane)

C33H69Cr — CID 173241602

IUPACchromium(3+);tris(3-ethyl-2-methanidyl-2,5-dimethylhexane)
SMILES[CH2-]C(C)(C)C(CC)CC(C)C.[CH2-]C(C)(C)C(CC)CC(C)C.[CH2-]C(C)(C)C(CC)CC(C)C.[Cr+3]
InChIInChI=1S/3C11H23.Cr/c3*1-7-10(8-9(2)3)11(4,5)6;/h3*9-10H,4,7-8H2,1-3,5-6H3;/q3*-1;+3
InChIKeyRINNUBDUURRWLR-UHFFFAOYSA-N
MW517.91 g/mol
LogP11.75
Rot. Bonds12

About chromium(3+);tris(3-ethyl-2-methanidyl-2,5-dimethylhexane)

chromium(3+);tris(3-ethyl-2-methanidyl-2,5-dimethylhexane) (PubChem CID 173241602) has the molecular formula C33H69Cr and a molecular weight of 517.91 g/mol. Its IUPAC name is chromium(3+);tris(3-ethyl-2-methanidyl-2,5-dimethylhexane).

Molecular Properties

Compound Namechromium(3+);tris(3-ethyl-2-methanidyl-2,5-dimethylhexane)
PubChem CID173241602
Molecular FormulaC33H69Cr
Molecular Weight517.91 g/mol
Exact Mass517.48
IUPAC Namechromium(3+);tris(3-ethyl-2-methanidyl-2,5-dimethylhexane)
SMILES[CH2-]C(C)(C)C(CC)CC(C)C.[CH2-]C(C)(C)C(CC)CC(C)C.[CH2-]C(C)(C)C(CC)CC(C)C.[Cr+3]
InChIInChI=1S/3C11H23.Cr/c3*1-7-10(8-9(2)3)11(4,5)6;/h3*9-10H,4,7-8H2,1-3,5-6H3;/q3*-1;+3
InChIKeyRINNUBDUURRWLR-UHFFFAOYSA-N
XLogP11.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.91
LogP ≤ 511.75
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(3+);tris(3-ethyl-2-methanidyl-2,5-dimethylhexane)?
The IUPAC name of chromium(3+);tris(3-ethyl-2-methanidyl-2,5-dimethylhexane) (CID 173241602) is chromium(3+);tris(3-ethyl-2-methanidyl-2,5-dimethylhexane).
What is the SMILES notation for chromium(3+);tris(3-ethyl-2-methanidyl-2,5-dimethylhexane)?
The canonical SMILES for chromium(3+);tris(3-ethyl-2-methanidyl-2,5-dimethylhexane) is [CH2-]C(C)(C)C(CC)CC(C)C.[CH2-]C(C)(C)C(CC)CC(C)C.[CH2-]C(C)(C)C(CC)CC(C)C.[Cr+3].
What is the InChIKey of chromium(3+);tris(3-ethyl-2-methanidyl-2,5-dimethylhexane)?
The InChIKey is RINNUBDUURRWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H23.Cr/c3*1-7-10(8-9(2)3)11(4,5)6;/h3*9-10H,4,7-8H2,1-3,5-6H3;/q3*-1;+3.
What are the key properties of chromium(3+);tris(3-ethyl-2-methanidyl-2,5-dimethylhexane)?
chromium(3+);tris(3-ethyl-2-methanidyl-2,5-dimethylhexane) has a molecular weight of 517.91 g/mol, XLogP of 11.75, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chromium(3+);tris(3-ethyl-2-methanidyl-2,5-dimethylhexane) is sourced from PubChem (CID 173241602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).