carbon monoxide;1,2,3,4,5,6-hexamethylbenzene;manganese

C14H18MnO2 — CID 11747742

IUPACcarbon monoxide;1,2,3,4,5,6-hexamethylbenzene;manganese
SMILESCc1c(C)c(C)c(C)c(C)c1C.[C-]#[O+].[C-]#[O+].[Mn]
InChIInChI=1S/C12H18.2CO.Mn/c1-7-8(2)10(4)12(6)11(5)9(7)3;2*1-2;/h1-6H3;;;
InChIKeyFNXSZYXYDWPQEK-UHFFFAOYSA-N
MW273.23 g/mol
LogP3.46
Rot. Bonds

About carbon monoxide;1,2,3,4,5,6-hexamethylbenzene;manganese

carbon monoxide;1,2,3,4,5,6-hexamethylbenzene;manganese (PubChem CID 11747742) has the molecular formula C14H18MnO2 and a molecular weight of 273.23 g/mol. Its IUPAC name is carbon monoxide;1,2,3,4,5,6-hexamethylbenzene;manganese.

Molecular Properties

Compound Namecarbon monoxide;1,2,3,4,5,6-hexamethylbenzene;manganese
PubChem CID11747742
Molecular FormulaC14H18MnO2
Molecular Weight273.23 g/mol
Exact Mass273.07
IUPAC Namecarbon monoxide;1,2,3,4,5,6-hexamethylbenzene;manganese
SMILESCc1c(C)c(C)c(C)c(C)c1C.[C-]#[O+].[C-]#[O+].[Mn]
InChIInChI=1S/C12H18.2CO.Mn/c1-7-8(2)10(4)12(6)11(5)9(7)3;2*1-2;/h1-6H3;;;
InChIKeyFNXSZYXYDWPQEK-UHFFFAOYSA-N
XLogP3.46
TPSA39.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.23
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;1,2,3,4,5,6-hexamethylbenzene
CID 144963527
bis(1,2,3,4,5,6-hexamethylbenzene);iron
CID 174058655
1,2,3,4,5,6-hexamethylbenzene;methane
CID 159570864
carbon monoxide;manganese
CID 11400812
CID 11760749
CID 11760749
CID 11460583
CID 11460583
boranuide;1,2,3,4,5,6-hexamethylbenzene;uranium(3+)
CID 134902011
1,2,3,4,5,6-hexamethylbenzene;ruthenium;dihydroiodide
CID 159746066
CID 11128103
CID 11128103
1,2,3,4,5-pentamethyl-6-[2,3,5,6-tetramethyl-4-[2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)phenyl]phenyl]benzene
CID 145429848
chlororuthenium;bis(1,2,3,4,5,6-hexamethylbenzene)
CID 11072056
1,2,3,4,5-pentamethyl-6-(2,3,4,5,6-pentamethylphenyl)benzene
CID 157259887

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;1,2,3,4,5,6-hexamethylbenzene;manganese?
The IUPAC name of carbon monoxide;1,2,3,4,5,6-hexamethylbenzene;manganese (CID 11747742) is carbon monoxide;1,2,3,4,5,6-hexamethylbenzene;manganese.
What is the SMILES notation for carbon monoxide;1,2,3,4,5,6-hexamethylbenzene;manganese?
The canonical SMILES for carbon monoxide;1,2,3,4,5,6-hexamethylbenzene;manganese is Cc1c(C)c(C)c(C)c(C)c1C.[C-]#[O+].[C-]#[O+].[Mn].
What is the InChIKey of carbon monoxide;1,2,3,4,5,6-hexamethylbenzene;manganese?
The InChIKey is FNXSZYXYDWPQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18.2CO.Mn/c1-7-8(2)10(4)12(6)11(5)9(7)3;2*1-2;/h1-6H3;;;.
What are the key properties of carbon monoxide;1,2,3,4,5,6-hexamethylbenzene;manganese?
carbon monoxide;1,2,3,4,5,6-hexamethylbenzene;manganese has a molecular weight of 273.23 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;1,2,3,4,5,6-hexamethylbenzene;manganese is sourced from PubChem (CID 11747742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).