(6R)-3-methyl-6-[(2R)-2-methyloxiran-2-yl]cyclohex-2-en-1-one

C10H14O2 — CID 10773377

IUPAC(6R)-3-methyl-6-[(2R)-2-methyloxiran-2-yl]cyclohex-2-en-1-one
SMILESCC1=CC(=O)[C@@H]([C@]2(C)CO2)CC1
InChIInChI=1S/C10H14O2/c1-7-3-4-8(9(11)5-7)10(2)6-12-10/h5,8H,3-4,6H2,1-2H3/t8-,10-/m0/s1
InChIKeyLFQJLNAMVQXXEH-WPRPVWTQSA-N
MW166.22 g/mol
LogP1.70
Rot. Bonds1

About (6R)-3-methyl-6-[(2R)-2-methyloxiran-2-yl]cyclohex-2-en-1-one

(6R)-3-methyl-6-[(2R)-2-methyloxiran-2-yl]cyclohex-2-en-1-one (PubChem CID 10773377) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (6R)-3-methyl-6-[(2R)-2-methyloxiran-2-yl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name(6R)-3-methyl-6-[(2R)-2-methyloxiran-2-yl]cyclohex-2-en-1-one
PubChem CID10773377
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(6R)-3-methyl-6-[(2R)-2-methyloxiran-2-yl]cyclohex-2-en-1-one
SMILESCC1=CC(=O)[C@@H]([C@]2(C)CO2)CC1
InChIInChI=1S/C10H14O2/c1-7-3-4-8(9(11)5-7)10(2)6-12-10/h5,8H,3-4,6H2,1-2H3/t8-,10-/m0/s1
InChIKeyLFQJLNAMVQXXEH-WPRPVWTQSA-N
XLogP1.70
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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CID 45273078
(6S)-6-acetyl-3-methylcyclohex-2-en-1-one
CID 92840169
6-acetyl-3,5-dimethylcyclohex-2-en-1-one
CID 3613524
6-(1-hydroxyethyl)-3-methylcyclohex-2-en-1-one
CID 130037393
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CID 89167305
4,8,8-trimethylbicyclo[3.2.1]oct-3-en-2-one
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(6S)-6-(3-hydroxyprop-1-en-2-yl)-3-methylcyclohex-2-en-1-one
CID 10931798
3-methyl-6-phenoxycyclohex-2-en-1-one
CID 139765945
3,6,8,8-tetramethyl-1,2,3,3a,7,8a-hexahydroazulen-4-one
CID 71328199
3a,6,10-trimethyl-1-propan-2-ylidene-3,7,8,11,12,12a-hexahydro-2H-cyclopenta[11]annulen-4-one
CID 85100807
6,6,7,10-tetramethyl-1,4-dioxaspiro[4.5]dec-9-en-8-one
CID 11117312
5-(2-hydroxy-1,3-dimethyl-5-oxo-2-bicyclo[4.1.0]hept-3-enyl)-2,3-dimethylpenta-2,4-dienoic acid
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Frequently Asked Questions

What is the IUPAC name of (6R)-3-methyl-6-[(2R)-2-methyloxiran-2-yl]cyclohex-2-en-1-one?
The IUPAC name of (6R)-3-methyl-6-[(2R)-2-methyloxiran-2-yl]cyclohex-2-en-1-one (CID 10773377) is (6R)-3-methyl-6-[(2R)-2-methyloxiran-2-yl]cyclohex-2-en-1-one.
What is the SMILES notation for (6R)-3-methyl-6-[(2R)-2-methyloxiran-2-yl]cyclohex-2-en-1-one?
The canonical SMILES for (6R)-3-methyl-6-[(2R)-2-methyloxiran-2-yl]cyclohex-2-en-1-one is CC1=CC(=O)[C@@H]([C@]2(C)CO2)CC1.
What is the InChIKey of (6R)-3-methyl-6-[(2R)-2-methyloxiran-2-yl]cyclohex-2-en-1-one?
The InChIKey is LFQJLNAMVQXXEH-WPRPVWTQSA-N. The full InChI is InChI=1S/C10H14O2/c1-7-3-4-8(9(11)5-7)10(2)6-12-10/h5,8H,3-4,6H2,1-2H3/t8-,10-/m0/s1.
What are the key properties of (6R)-3-methyl-6-[(2R)-2-methyloxiran-2-yl]cyclohex-2-en-1-one?
(6R)-3-methyl-6-[(2R)-2-methyloxiran-2-yl]cyclohex-2-en-1-one has a molecular weight of 166.22 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-3-methyl-6-[(2R)-2-methyloxiran-2-yl]cyclohex-2-en-1-one is sourced from PubChem (CID 10773377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).