4-methylcyclohexan-1-one;yttrium

C7H11OY- — CID 59299362

IUPAC4-methylcyclohexan-1-one;yttrium
SMILESC[C-]1CCC(=O)CC1.[Y]
InChIInChI=1S/C7H11O.Y/c1-6-2-4-7(8)5-3-6;/h2-5H2,1H3;/q-1;
InChIKeyNAFNRSRSWSQEMU-UHFFFAOYSA-N
MW200.07 g/mol
LogP1.72
Rot. Bonds

About 4-methylcyclohexan-1-one;yttrium

4-methylcyclohexan-1-one;yttrium (PubChem CID 59299362) has the molecular formula C7H11OY- and a molecular weight of 200.07 g/mol. Its IUPAC name is 4-methylcyclohexan-1-one;yttrium.

Molecular Properties

Compound Name4-methylcyclohexan-1-one;yttrium
PubChem CID59299362
Molecular FormulaC7H11OY-
Molecular Weight200.07 g/mol
Exact Mass199.99
IUPAC Name4-methylcyclohexan-1-one;yttrium
SMILESC[C-]1CCC(=O)CC1.[Y]
InChIInChI=1S/C7H11O.Y/c1-6-2-4-7(8)5-3-6;/h2-5H2,1H3;/q-1;
InChIKeyNAFNRSRSWSQEMU-UHFFFAOYSA-N
XLogP1.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.07
LogP ≤ 51.72
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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Related Compounds

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CID 90860291
cyclopropanone;ethene
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aziridin-2-one
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CID 68522509
cycloheptanone;cyclohexanone;cyclopentanone;ethane
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1,4,10,13-tetrazacyclooctadecane-7,16-dione
CID 156838374
cyclohexane-1,4-dione;ethene
CID 22146617
sodium;cyclohexane-1,4-dione;hydroxide
CID 175584383
methylcyclobutane;tungsten
CID 59642958
butane;cyclobutanone
CID 158137998
azane;cyclohexanone;ethane
CID 174919946
cyclopentanone;2,2-dimethylpropane
CID 157268404

Frequently Asked Questions

What is the IUPAC name of 4-methylcyclohexan-1-one;yttrium?
The IUPAC name of 4-methylcyclohexan-1-one;yttrium (CID 59299362) is 4-methylcyclohexan-1-one;yttrium.
What is the SMILES notation for 4-methylcyclohexan-1-one;yttrium?
The canonical SMILES for 4-methylcyclohexan-1-one;yttrium is C[C-]1CCC(=O)CC1.[Y].
What is the InChIKey of 4-methylcyclohexan-1-one;yttrium?
The InChIKey is NAFNRSRSWSQEMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11O.Y/c1-6-2-4-7(8)5-3-6;/h2-5H2,1H3;/q-1;.
What are the key properties of 4-methylcyclohexan-1-one;yttrium?
4-methylcyclohexan-1-one;yttrium has a molecular weight of 200.07 g/mol, XLogP of 1.72, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylcyclohexan-1-one;yttrium is sourced from PubChem (CID 59299362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).