4-(3,5-dimethylbenzene-4-id-1-yl)cyclohexan-1-one;yttrium(3+)

C14H17OY+2 — CID 20656833

IUPAC4-(3,5-dimethylbenzene-4-id-1-yl)cyclohexan-1-one;yttrium(3+)
SMILESCc1[c-]c(C)cc(C2CCC(=O)CC2)c1.[Y+3]
InChIInChI=1S/C14H17O.Y/c1-10-7-11(2)9-13(8-10)12-3-5-14(15)6-4-12;/h8-9,12H,3-6H2,1-2H3;/q-1;+3
InChIKeyJQOLDTOGHUYAPE-UHFFFAOYSA-N
MW290.19 g/mol
LogP3.33
Rot. Bonds1

About 4-(3,5-dimethylbenzene-4-id-1-yl)cyclohexan-1-one;yttrium(3+)

4-(3,5-dimethylbenzene-4-id-1-yl)cyclohexan-1-one;yttrium(3+) (PubChem CID 20656833) has the molecular formula C14H17OY+2 and a molecular weight of 290.19 g/mol. Its IUPAC name is 4-(3,5-dimethylbenzene-4-id-1-yl)cyclohexan-1-one;yttrium(3+).

Molecular Properties

Compound Name4-(3,5-dimethylbenzene-4-id-1-yl)cyclohexan-1-one;yttrium(3+)
PubChem CID20656833
Molecular FormulaC14H17OY+2
Molecular Weight290.19 g/mol
Exact Mass290.03
IUPAC Name4-(3,5-dimethylbenzene-4-id-1-yl)cyclohexan-1-one;yttrium(3+)
SMILESCc1[c-]c(C)cc(C2CCC(=O)CC2)c1.[Y+3]
InChIInChI=1S/C14H17O.Y/c1-10-7-11(2)9-13(8-10)12-3-5-14(15)6-4-12;/h8-9,12H,3-6H2,1-2H3;/q-1;+3
InChIKeyJQOLDTOGHUYAPE-UHFFFAOYSA-N
XLogP3.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 53.33
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 4-(3,5-dimethylbenzene-4-id-1-yl)cyclohexan-1-one;yttrium(3+)?
The IUPAC name of 4-(3,5-dimethylbenzene-4-id-1-yl)cyclohexan-1-one;yttrium(3+) (CID 20656833) is 4-(3,5-dimethylbenzene-4-id-1-yl)cyclohexan-1-one;yttrium(3+).
What is the SMILES notation for 4-(3,5-dimethylbenzene-4-id-1-yl)cyclohexan-1-one;yttrium(3+)?
The canonical SMILES for 4-(3,5-dimethylbenzene-4-id-1-yl)cyclohexan-1-one;yttrium(3+) is Cc1[c-]c(C)cc(C2CCC(=O)CC2)c1.[Y+3].
What is the InChIKey of 4-(3,5-dimethylbenzene-4-id-1-yl)cyclohexan-1-one;yttrium(3+)?
The InChIKey is JQOLDTOGHUYAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17O.Y/c1-10-7-11(2)9-13(8-10)12-3-5-14(15)6-4-12;/h8-9,12H,3-6H2,1-2H3;/q-1;+3.
What are the key properties of 4-(3,5-dimethylbenzene-4-id-1-yl)cyclohexan-1-one;yttrium(3+)?
4-(3,5-dimethylbenzene-4-id-1-yl)cyclohexan-1-one;yttrium(3+) has a molecular weight of 290.19 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylbenzene-4-id-1-yl)cyclohexan-1-one;yttrium(3+) is sourced from PubChem (CID 20656833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).