4-hydroxy-4-methylcyclohexan-1-one;rutherfordium

C7H12O2Rf — CID 59885051

IUPAC4-hydroxy-4-methylcyclohexan-1-one;rutherfordium
SMILESCC1(O)CCC(=O)CC1.[Rf]
InChIInChI=1S/C7H12O2.Rf/c1-7(9)4-2-6(8)3-5-7;/h9H,2-5H2,1H3;
InChIKeyNECXGPZCFNETFO-UHFFFAOYSA-N
MW395.17 g/mol
LogP0.88
Rot. Bonds

About 4-hydroxy-4-methylcyclohexan-1-one;rutherfordium

4-hydroxy-4-methylcyclohexan-1-one;rutherfordium (PubChem CID 59885051) has the molecular formula C7H12O2Rf and a molecular weight of 395.17 g/mol. Its IUPAC name is 4-hydroxy-4-methylcyclohexan-1-one;rutherfordium.

Molecular Properties

Compound Name4-hydroxy-4-methylcyclohexan-1-one;rutherfordium
PubChem CID59885051
Molecular FormulaC7H12O2Rf
Molecular Weight395.17 g/mol
Exact Mass395.21
IUPAC Name4-hydroxy-4-methylcyclohexan-1-one;rutherfordium
SMILESCC1(O)CCC(=O)CC1.[Rf]
InChIInChI=1S/C7H12O2.Rf/c1-7(9)4-2-6(8)3-5-7;/h9H,2-5H2,1H3;
InChIKeyNECXGPZCFNETFO-UHFFFAOYSA-N
XLogP0.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.17
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-methylcyclohexan-1-one;rutherfordium?
The IUPAC name of 4-hydroxy-4-methylcyclohexan-1-one;rutherfordium (CID 59885051) is 4-hydroxy-4-methylcyclohexan-1-one;rutherfordium.
What is the SMILES notation for 4-hydroxy-4-methylcyclohexan-1-one;rutherfordium?
The canonical SMILES for 4-hydroxy-4-methylcyclohexan-1-one;rutherfordium is CC1(O)CCC(=O)CC1.[Rf].
What is the InChIKey of 4-hydroxy-4-methylcyclohexan-1-one;rutherfordium?
The InChIKey is NECXGPZCFNETFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2.Rf/c1-7(9)4-2-6(8)3-5-7;/h9H,2-5H2,1H3;.
What are the key properties of 4-hydroxy-4-methylcyclohexan-1-one;rutherfordium?
4-hydroxy-4-methylcyclohexan-1-one;rutherfordium has a molecular weight of 395.17 g/mol, XLogP of 0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-methylcyclohexan-1-one;rutherfordium is sourced from PubChem (CID 59885051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).