1-(2,6-dimethylbenzene-4-id-1-yl)ethanone;molybdenum

C10H11MoO- — CID 173480397

IUPAC1-(2,6-dimethylbenzene-4-id-1-yl)ethanone;molybdenum
SMILESCC(=O)c1c(C)c[c-]cc1C.[Mo]
InChIInChI=1S/C10H11O.Mo/c1-7-5-4-6-8(2)10(7)9(3)11;/h5-6H,1-3H3;/q-1;
InChIKeyFMRIWBMTOGZAFD-UHFFFAOYSA-N
MW243.14 g/mol
LogP2.30
Rot. Bonds1

About 1-(2,6-dimethylbenzene-4-id-1-yl)ethanone;molybdenum

1-(2,6-dimethylbenzene-4-id-1-yl)ethanone;molybdenum (PubChem CID 173480397) has the molecular formula C10H11MoO- and a molecular weight of 243.14 g/mol. Its IUPAC name is 1-(2,6-dimethylbenzene-4-id-1-yl)ethanone;molybdenum.

Molecular Properties

Compound Name1-(2,6-dimethylbenzene-4-id-1-yl)ethanone;molybdenum
PubChem CID173480397
Molecular FormulaC10H11MoO-
Molecular Weight243.14 g/mol
Exact Mass244.99
IUPAC Name1-(2,6-dimethylbenzene-4-id-1-yl)ethanone;molybdenum
SMILESCC(=O)c1c(C)c[c-]cc1C.[Mo]
InChIInChI=1S/C10H11O.Mo/c1-7-5-4-6-8(2)10(7)9(3)11;/h5-6H,1-3H3;/q-1;
InChIKeyFMRIWBMTOGZAFD-UHFFFAOYSA-N
XLogP2.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.14
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1-(2,6-dimethylbenzene-4-id-1-yl)ethanone;molybdenum?
The IUPAC name of 1-(2,6-dimethylbenzene-4-id-1-yl)ethanone;molybdenum (CID 173480397) is 1-(2,6-dimethylbenzene-4-id-1-yl)ethanone;molybdenum.
What is the SMILES notation for 1-(2,6-dimethylbenzene-4-id-1-yl)ethanone;molybdenum?
The canonical SMILES for 1-(2,6-dimethylbenzene-4-id-1-yl)ethanone;molybdenum is CC(=O)c1c(C)c[c-]cc1C.[Mo].
What is the InChIKey of 1-(2,6-dimethylbenzene-4-id-1-yl)ethanone;molybdenum?
The InChIKey is FMRIWBMTOGZAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11O.Mo/c1-7-5-4-6-8(2)10(7)9(3)11;/h5-6H,1-3H3;/q-1;.
What are the key properties of 1-(2,6-dimethylbenzene-4-id-1-yl)ethanone;molybdenum?
1-(2,6-dimethylbenzene-4-id-1-yl)ethanone;molybdenum has a molecular weight of 243.14 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylbenzene-4-id-1-yl)ethanone;molybdenum is sourced from PubChem (CID 173480397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).