(2R)-2-ethyl-2-hydroxy-3,4-dimethylcyclohex-3-en-1-one

C10H16O2 — CID 135139722

IUPAC(2R)-2-ethyl-2-hydroxy-3,4-dimethylcyclohex-3-en-1-one
SMILESCC[C@]1(O)C(=O)CCC(C)=C1C
InChIInChI=1S/C10H16O2/c1-4-10(12)8(3)7(2)5-6-9(10)11/h12H,4-6H2,1-3H3/t10-/m1/s1
InChIKeyQQIWBIAPBXMBEM-SNVBAGLBSA-N
MW168.24 g/mol
LogP1.83
Rot. Bonds1

About (2R)-2-ethyl-2-hydroxy-3,4-dimethylcyclohex-3-en-1-one

(2R)-2-ethyl-2-hydroxy-3,4-dimethylcyclohex-3-en-1-one (PubChem CID 135139722) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is (2R)-2-ethyl-2-hydroxy-3,4-dimethylcyclohex-3-en-1-one.

Molecular Properties

Compound Name(2R)-2-ethyl-2-hydroxy-3,4-dimethylcyclohex-3-en-1-one
PubChem CID135139722
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name(2R)-2-ethyl-2-hydroxy-3,4-dimethylcyclohex-3-en-1-one
SMILESCC[C@]1(O)C(=O)CCC(C)=C1C
InChIInChI=1S/C10H16O2/c1-4-10(12)8(3)7(2)5-6-9(10)11/h12H,4-6H2,1-3H3/t10-/m1/s1
InChIKeyQQIWBIAPBXMBEM-SNVBAGLBSA-N
XLogP1.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-2-hydroxy-3,4-dimethylcyclohex-3-en-1-one?
The IUPAC name of (2R)-2-ethyl-2-hydroxy-3,4-dimethylcyclohex-3-en-1-one (CID 135139722) is (2R)-2-ethyl-2-hydroxy-3,4-dimethylcyclohex-3-en-1-one.
What is the SMILES notation for (2R)-2-ethyl-2-hydroxy-3,4-dimethylcyclohex-3-en-1-one?
The canonical SMILES for (2R)-2-ethyl-2-hydroxy-3,4-dimethylcyclohex-3-en-1-one is CC[C@]1(O)C(=O)CCC(C)=C1C.
What is the InChIKey of (2R)-2-ethyl-2-hydroxy-3,4-dimethylcyclohex-3-en-1-one?
The InChIKey is QQIWBIAPBXMBEM-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H16O2/c1-4-10(12)8(3)7(2)5-6-9(10)11/h12H,4-6H2,1-3H3/t10-/m1/s1.
What are the key properties of (2R)-2-ethyl-2-hydroxy-3,4-dimethylcyclohex-3-en-1-one?
(2R)-2-ethyl-2-hydroxy-3,4-dimethylcyclohex-3-en-1-one has a molecular weight of 168.24 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-2-hydroxy-3,4-dimethylcyclohex-3-en-1-one is sourced from PubChem (CID 135139722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).