4-hydroxy-3,3,5-trimethylcyclohexan-1-one

C9H16O2 — CID 21200670

IUPAC4-hydroxy-3,3,5-trimethylcyclohexan-1-one
SMILESCC1CC(=O)CC(C)(C)C1O
InChIInChI=1S/C9H16O2/c1-6-4-7(10)5-9(2,3)8(6)11/h6,8,11H,4-5H2,1-3H3
InChIKeyCZFNEULXUXGILY-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.37
Rot. Bonds

About 4-hydroxy-3,3,5-trimethylcyclohexan-1-one

4-hydroxy-3,3,5-trimethylcyclohexan-1-one (PubChem CID 21200670) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 4-hydroxy-3,3,5-trimethylcyclohexan-1-one.

Molecular Properties

Compound Name4-hydroxy-3,3,5-trimethylcyclohexan-1-one
PubChem CID21200670
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name4-hydroxy-3,3,5-trimethylcyclohexan-1-one
SMILESCC1CC(=O)CC(C)(C)C1O
InChIInChI=1S/C9H16O2/c1-6-4-7(10)5-9(2,3)8(6)11/h6,8,11H,4-5H2,1-3H3
InChIKeyCZFNEULXUXGILY-UHFFFAOYSA-N
XLogP1.37
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3,3,5-trimethylcyclohexan-1-one?
The IUPAC name of 4-hydroxy-3,3,5-trimethylcyclohexan-1-one (CID 21200670) is 4-hydroxy-3,3,5-trimethylcyclohexan-1-one.
What is the SMILES notation for 4-hydroxy-3,3,5-trimethylcyclohexan-1-one?
The canonical SMILES for 4-hydroxy-3,3,5-trimethylcyclohexan-1-one is CC1CC(=O)CC(C)(C)C1O.
What is the InChIKey of 4-hydroxy-3,3,5-trimethylcyclohexan-1-one?
The InChIKey is CZFNEULXUXGILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-6-4-7(10)5-9(2,3)8(6)11/h6,8,11H,4-5H2,1-3H3.
What are the key properties of 4-hydroxy-3,3,5-trimethylcyclohexan-1-one?
4-hydroxy-3,3,5-trimethylcyclohexan-1-one has a molecular weight of 156.22 g/mol, XLogP of 1.37, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,3,5-trimethylcyclohexan-1-one is sourced from PubChem (CID 21200670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).