carbon monoxide;chromium;[(2R,3R)-3-iodobutan-2-yl]benzene

C13H13CrIO3 — CID 134889146

IUPACcarbon monoxide;chromium;[(2R,3R)-3-iodobutan-2-yl]benzene
SMILESC[C@H](c1ccccc1)[C@@H](C)I.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C10H13I.3CO.Cr/c1-8(9(2)11)10-6-4-3-5-7-10;3*1-2;/h3-9H,1-2H3;;;;/t8-,9+;;;;/m0..../s1
InChIKeyWUCWYISRESQJOS-XJGUQWRXSA-N
MW396.14 g/mol
LogP3.50
Rot. Bonds2

About carbon monoxide;chromium;[(2R,3R)-3-iodobutan-2-yl]benzene

carbon monoxide;chromium;[(2R,3R)-3-iodobutan-2-yl]benzene (PubChem CID 134889146) has the molecular formula C13H13CrIO3 and a molecular weight of 396.14 g/mol. Its IUPAC name is carbon monoxide;chromium;[(2R,3R)-3-iodobutan-2-yl]benzene.

Molecular Properties

Compound Namecarbon monoxide;chromium;[(2R,3R)-3-iodobutan-2-yl]benzene
PubChem CID134889146
Molecular FormulaC13H13CrIO3
Molecular Weight396.14 g/mol
Exact Mass395.93
IUPAC Namecarbon monoxide;chromium;[(2R,3R)-3-iodobutan-2-yl]benzene
SMILESC[C@H](c1ccccc1)[C@@H](C)I.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr]
InChIInChI=1S/C10H13I.3CO.Cr/c1-8(9(2)11)10-6-4-3-5-7-10;3*1-2;/h3-9H,1-2H3;;;;/t8-,9+;;;;/m0..../s1
InChIKeyWUCWYISRESQJOS-XJGUQWRXSA-N
XLogP3.50
TPSA59.70 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.14
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

ethane;[(2S)-3-phenylbutan-2-yl]benzene
CID 143602107
methane;[(2S)-3-methylbutan-2-yl]benzene;[(2R)-3-methylbutan-2-yl]benzene
CID 162029093
1,1-diphenylpropan-2-ylbenzene
CID 3664636
1-phenylethylbenzene;stibane
CID 174965918
3-fluorobutan-2-ylbenzene
CID 159211068
2-methyl-3-phenylbutanoic acid
CID 29759
(4-iodo-3-methylbutan-2-yl)benzene
CID 121265066
CID 160506105
CID 160506105
cumene
CID 161227923
propan-2-ylcyclodecapentaene
CID 123508933
benzene;cumene
CID 157215889
1-phenylethylbenzene
CID 11918

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;chromium;[(2R,3R)-3-iodobutan-2-yl]benzene?
The IUPAC name of carbon monoxide;chromium;[(2R,3R)-3-iodobutan-2-yl]benzene (CID 134889146) is carbon monoxide;chromium;[(2R,3R)-3-iodobutan-2-yl]benzene.
What is the SMILES notation for carbon monoxide;chromium;[(2R,3R)-3-iodobutan-2-yl]benzene?
The canonical SMILES for carbon monoxide;chromium;[(2R,3R)-3-iodobutan-2-yl]benzene is C[C@H](c1ccccc1)[C@@H](C)I.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].
What is the InChIKey of carbon monoxide;chromium;[(2R,3R)-3-iodobutan-2-yl]benzene?
The InChIKey is WUCWYISRESQJOS-XJGUQWRXSA-N. The full InChI is InChI=1S/C10H13I.3CO.Cr/c1-8(9(2)11)10-6-4-3-5-7-10;3*1-2;/h3-9H,1-2H3;;;;/t8-,9+;;;;/m0..../s1.
What are the key properties of carbon monoxide;chromium;[(2R,3R)-3-iodobutan-2-yl]benzene?
carbon monoxide;chromium;[(2R,3R)-3-iodobutan-2-yl]benzene has a molecular weight of 396.14 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;chromium;[(2R,3R)-3-iodobutan-2-yl]benzene is sourced from PubChem (CID 134889146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).