lithium;carbon monoxide;chromium;dimethoxymethylbenzene

C12H11CrLiO5 — CID 134876422

IUPAClithium;carbon monoxide;chromium;dimethoxymethylbenzene
SMILESCOC(OC)c1[c-]cccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].[Li+]
InChIInChI=1S/C9H11O2.3CO.Cr.Li/c1-10-9(11-2)8-6-4-3-5-7-8;3*1-2;;/h3-6,9H,1-2H3;;;;;/q-1;;;;;+1
InChIKeyUGIBMVJHAAHXPZ-UHFFFAOYSA-N
MW294.15 g/mol
LogP-1.33
Rot. Bonds3

About lithium;carbon monoxide;chromium;dimethoxymethylbenzene

lithium;carbon monoxide;chromium;dimethoxymethylbenzene (PubChem CID 134876422) has the molecular formula C12H11CrLiO5 and a molecular weight of 294.15 g/mol. Its IUPAC name is lithium;carbon monoxide;chromium;dimethoxymethylbenzene.

Molecular Properties

Compound Namelithium;carbon monoxide;chromium;dimethoxymethylbenzene
PubChem CID134876422
Molecular FormulaC12H11CrLiO5
Molecular Weight294.15 g/mol
Exact Mass294.02
IUPAC Namelithium;carbon monoxide;chromium;dimethoxymethylbenzene
SMILESCOC(OC)c1[c-]cccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].[Li+]
InChIInChI=1S/C9H11O2.3CO.Cr.Li/c1-10-9(11-2)8-6-4-3-5-7-8;3*1-2;;/h3-6,9H,1-2H3;;;;;/q-1;;;;;+1
InChIKeyUGIBMVJHAAHXPZ-UHFFFAOYSA-N
XLogP-1.33
TPSA78.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 5-1.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium;carbon monoxide;chromium;dimethoxymethylbenzene?
The IUPAC name of lithium;carbon monoxide;chromium;dimethoxymethylbenzene (CID 134876422) is lithium;carbon monoxide;chromium;dimethoxymethylbenzene.
What is the SMILES notation for lithium;carbon monoxide;chromium;dimethoxymethylbenzene?
The canonical SMILES for lithium;carbon monoxide;chromium;dimethoxymethylbenzene is COC(OC)c1[c-]cccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cr].[Li+].
What is the InChIKey of lithium;carbon monoxide;chromium;dimethoxymethylbenzene?
The InChIKey is UGIBMVJHAAHXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O2.3CO.Cr.Li/c1-10-9(11-2)8-6-4-3-5-7-8;3*1-2;;/h3-6,9H,1-2H3;;;;;/q-1;;;;;+1.
What are the key properties of lithium;carbon monoxide;chromium;dimethoxymethylbenzene?
lithium;carbon monoxide;chromium;dimethoxymethylbenzene has a molecular weight of 294.15 g/mol, XLogP of -1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;carbon monoxide;chromium;dimethoxymethylbenzene is sourced from PubChem (CID 134876422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).