2-hydroxy-2,3,3-trimethylcyclohexan-1-one

C9H16O2 — CID 77339824

IUPAC2-hydroxy-2,3,3-trimethylcyclohexan-1-one
SMILESCC1(C)CCCC(=O)C1(C)O
InChIInChI=1S/C9H16O2/c1-8(2)6-4-5-7(10)9(8,3)11/h11H,4-6H2,1-3H3
InChIKeyLWYNFVHUPFHDEB-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.52
Rot. Bonds

About 2-hydroxy-2,3,3-trimethylcyclohexan-1-one

2-hydroxy-2,3,3-trimethylcyclohexan-1-one (PubChem CID 77339824) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-hydroxy-2,3,3-trimethylcyclohexan-1-one.

Molecular Properties

Compound Name2-hydroxy-2,3,3-trimethylcyclohexan-1-one
PubChem CID77339824
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-hydroxy-2,3,3-trimethylcyclohexan-1-one
SMILESCC1(C)CCCC(=O)C1(C)O
InChIInChI=1S/C9H16O2/c1-8(2)6-4-5-7(10)9(8,3)11/h11H,4-6H2,1-3H3
InChIKeyLWYNFVHUPFHDEB-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2,3,3-trimethylcyclohexan-1-one?
The IUPAC name of 2-hydroxy-2,3,3-trimethylcyclohexan-1-one (CID 77339824) is 2-hydroxy-2,3,3-trimethylcyclohexan-1-one.
What is the SMILES notation for 2-hydroxy-2,3,3-trimethylcyclohexan-1-one?
The canonical SMILES for 2-hydroxy-2,3,3-trimethylcyclohexan-1-one is CC1(C)CCCC(=O)C1(C)O.
What is the InChIKey of 2-hydroxy-2,3,3-trimethylcyclohexan-1-one?
The InChIKey is LWYNFVHUPFHDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-8(2)6-4-5-7(10)9(8,3)11/h11H,4-6H2,1-3H3.
What are the key properties of 2-hydroxy-2,3,3-trimethylcyclohexan-1-one?
2-hydroxy-2,3,3-trimethylcyclohexan-1-one has a molecular weight of 156.22 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2,3,3-trimethylcyclohexan-1-one is sourced from PubChem (CID 77339824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).