carbanide;1-(2,6-dimethylbenzene-4-id-1-yl)oxypropan-2-one;yttrium

C12H16O2Y-2 — CID 59905131

IUPACcarbanide;1-(2,6-dimethylbenzene-4-id-1-yl)oxypropan-2-one;yttrium
SMILESCC(=O)COc1c(C)c[c-]cc1C.[CH3-].[Y]
InChIInChI=1S/C11H13O2.CH3.Y/c1-8-5-4-6-9(2)11(8)13-7-10(3)12;;/h5-6H,7H2,1-3H3;1H3;/q2*-1;
InChIKeyFGCOLQUFDDKPFS-UHFFFAOYSA-N
MW281.16 g/mol
LogP2.52
Rot. Bonds3

About carbanide;1-(2,6-dimethylbenzene-4-id-1-yl)oxypropan-2-one;yttrium

carbanide;1-(2,6-dimethylbenzene-4-id-1-yl)oxypropan-2-one;yttrium (PubChem CID 59905131) has the molecular formula C12H16O2Y-2 and a molecular weight of 281.16 g/mol. Its IUPAC name is carbanide;1-(2,6-dimethylbenzene-4-id-1-yl)oxypropan-2-one;yttrium.

Molecular Properties

Compound Namecarbanide;1-(2,6-dimethylbenzene-4-id-1-yl)oxypropan-2-one;yttrium
PubChem CID59905131
Molecular FormulaC12H16O2Y-2
Molecular Weight281.16 g/mol
Exact Mass281.02
IUPAC Namecarbanide;1-(2,6-dimethylbenzene-4-id-1-yl)oxypropan-2-one;yttrium
SMILESCC(=O)COc1c(C)c[c-]cc1C.[CH3-].[Y]
InChIInChI=1S/C11H13O2.CH3.Y/c1-8-5-4-6-9(2)11(8)13-7-10(3)12;;/h5-6H,7H2,1-3H3;1H3;/q2*-1;
InChIKeyFGCOLQUFDDKPFS-UHFFFAOYSA-N
XLogP2.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.16
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Cyclohexa-1,5-dien-1-yloxypropan-2-one
CID 23166254
1-(4-Tert-butylbenzene-6-id-1-yl)oxypropan-2-one;rhodium
CID 58700455
1-(3,5-Dimethylbenzene-4-id-1-yl)oxypropan-2-one;yttrium
CID 58711671
3-(3,5-Dimethylbenzene-4-id-1-yl)oxybutan-2-one;yttrium
CID 58711672
3,16-Dioxabicyclo[13.4.0]nonadeca-1(15),4,6,8,10,12,18-heptaen-14-one
CID 90985006
(6E)-5-methyl-6-prop-2-enylidenepyran-3-one
CID 91593772
1-(Cyclohexa-1,5-dien-1-ylmethoxy)propan-2-one
CID 142482257
1-(2,7-Dimethylcyclohepta-1,3,6-trien-1-yl)oxy-3-methylbutan-2-one
CID 142994915
Ethane;1-(4-ethyl-2-methylcyclohexa-2,4-dien-1-yl)oxypropan-2-one
CID 143343141
1-(2,6-Dimethylcyclohexa-1,5-dien-1-yl)oxypropan-2-one
CID 143537901
1-(4-Methylidenecyclohexa-1,5-dien-1-yl)oxypropan-2-one
CID 151524947
1-(4-Tert-butylbenzene-6-id-1-yl)oxypropan-2-one;methane;rhodium
CID 158159878

Frequently Asked Questions

What is the IUPAC name of carbanide;1-(2,6-dimethylbenzene-4-id-1-yl)oxypropan-2-one;yttrium?
The IUPAC name of carbanide;1-(2,6-dimethylbenzene-4-id-1-yl)oxypropan-2-one;yttrium (CID 59905131) is carbanide;1-(2,6-dimethylbenzene-4-id-1-yl)oxypropan-2-one;yttrium.
What is the SMILES notation for carbanide;1-(2,6-dimethylbenzene-4-id-1-yl)oxypropan-2-one;yttrium?
The canonical SMILES for carbanide;1-(2,6-dimethylbenzene-4-id-1-yl)oxypropan-2-one;yttrium is CC(=O)COc1c(C)c[c-]cc1C.[CH3-].[Y].
What is the InChIKey of carbanide;1-(2,6-dimethylbenzene-4-id-1-yl)oxypropan-2-one;yttrium?
The InChIKey is FGCOLQUFDDKPFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13O2.CH3.Y/c1-8-5-4-6-9(2)11(8)13-7-10(3)12;;/h5-6H,7H2,1-3H3;1H3;/q2*-1;.
What are the key properties of carbanide;1-(2,6-dimethylbenzene-4-id-1-yl)oxypropan-2-one;yttrium?
carbanide;1-(2,6-dimethylbenzene-4-id-1-yl)oxypropan-2-one;yttrium has a molecular weight of 281.16 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;1-(2,6-dimethylbenzene-4-id-1-yl)oxypropan-2-one;yttrium is sourced from PubChem (CID 59905131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).