(5R)-2,5-dimethylcyclohex-2-en-1-one

C8H12O — CID 89467167

IUPAC(5R)-2,5-dimethylcyclohex-2-en-1-one
SMILESCC1=CC[C@@H](C)CC1=O
InChIInChI=1S/C8H12O/c1-6-3-4-7(2)8(9)5-6/h4,6H,3,5H2,1-2H3/t6-/m1/s1
InChIKeyDOHDEMCKFSQGLE-ZCFIWIBFSA-N
MW124.18 g/mol
LogP1.93
Rot. Bonds

About (5R)-2,5-dimethylcyclohex-2-en-1-one

(5R)-2,5-dimethylcyclohex-2-en-1-one (PubChem CID 89467167) has the molecular formula C8H12O and a molecular weight of 124.18 g/mol. Its IUPAC name is (5R)-2,5-dimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(5R)-2,5-dimethylcyclohex-2-en-1-one
PubChem CID89467167
Molecular FormulaC8H12O
Molecular Weight124.18 g/mol
Exact Mass124.09
IUPAC Name(5R)-2,5-dimethylcyclohex-2-en-1-one
SMILESCC1=CC[C@@H](C)CC1=O
InChIInChI=1S/C8H12O/c1-6-3-4-7(2)8(9)5-6/h4,6H,3,5H2,1-2H3/t6-/m1/s1
InChIKeyDOHDEMCKFSQGLE-ZCFIWIBFSA-N
XLogP1.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.18
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (5R)-2,5-dimethylcyclohex-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R)-2,5-dimethylcyclohex-2-en-1-one?
The IUPAC name of (5R)-2,5-dimethylcyclohex-2-en-1-one (CID 89467167) is (5R)-2,5-dimethylcyclohex-2-en-1-one.
What is the SMILES notation for (5R)-2,5-dimethylcyclohex-2-en-1-one?
The canonical SMILES for (5R)-2,5-dimethylcyclohex-2-en-1-one is CC1=CC[C@@H](C)CC1=O.
What is the InChIKey of (5R)-2,5-dimethylcyclohex-2-en-1-one?
The InChIKey is DOHDEMCKFSQGLE-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H12O/c1-6-3-4-7(2)8(9)5-6/h4,6H,3,5H2,1-2H3/t6-/m1/s1.
What are the key properties of (5R)-2,5-dimethylcyclohex-2-en-1-one?
(5R)-2,5-dimethylcyclohex-2-en-1-one has a molecular weight of 124.18 g/mol, XLogP of 1.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2,5-dimethylcyclohex-2-en-1-one is sourced from PubChem (CID 89467167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).