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

C10H14O2 — CID 10511265

IUPAC(6R)-3-methyl-6-[(2S)-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-WCBMZHEXSA-N
MW166.22 g/mol
LogP1.70
Rot. Bonds1

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

(6R)-3-methyl-6-[(2S)-2-methyloxiran-2-yl]cyclohex-2-en-1-one (PubChem CID 10511265) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is (6R)-3-methyl-6-[(2S)-2-methyloxiran-2-yl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name(6R)-3-methyl-6-[(2S)-2-methyloxiran-2-yl]cyclohex-2-en-1-one
PubChem CID10511265
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name(6R)-3-methyl-6-[(2S)-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-WCBMZHEXSA-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

Leptodienone B
CID 25110933
Leptodienone A
CID 25110932
4-[(2S)-2-methyloxiran-2-yl]cyclohexene-1-carbaldehyde
CID 129250076
2-Cyclohexen-1-one, 2-methyl-5-(2-methyloxiranyl)-
CID 9920473
1,10-Epoxygermacrone
CID 15139241
(1S,6E,10R)-1,7-dimethyl-4-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-6-en-3-one
CID 86279072
1,5,9-Trimethyl-12-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8-dien-3-one
CID 74423110
(1R,6Z,10S)-1,7-dimethyl-4-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-6-en-3-one
CID 101664155
(1R,6E,10S)-1,7-dimethyl-4-propan-2-ylidene-11-oxabicyclo[8.1.0]undec-6-en-3-one
CID 162879791
2-Cyclohexen-1-one, 2-methyl-5-(2-methyloxiranyl)-, (5R)-
CID 10511263
2-Cyclohexen-1-one, 2-methyl-5-(2-methyloxiranyl)-, (5S)-
CID 11958202
(4R)-4-(2-methyloxiran-2-yl)cyclohex-2-en-1-one
CID 14465364

Frequently Asked Questions

What is the IUPAC name of (6R)-3-methyl-6-[(2S)-2-methyloxiran-2-yl]cyclohex-2-en-1-one?
The IUPAC name of (6R)-3-methyl-6-[(2S)-2-methyloxiran-2-yl]cyclohex-2-en-1-one (CID 10511265) is (6R)-3-methyl-6-[(2S)-2-methyloxiran-2-yl]cyclohex-2-en-1-one.
What is the SMILES notation for (6R)-3-methyl-6-[(2S)-2-methyloxiran-2-yl]cyclohex-2-en-1-one?
The canonical SMILES for (6R)-3-methyl-6-[(2S)-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-[(2S)-2-methyloxiran-2-yl]cyclohex-2-en-1-one?
The InChIKey is LFQJLNAMVQXXEH-WCBMZHEXSA-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-[(2S)-2-methyloxiran-2-yl]cyclohex-2-en-1-one?
(6R)-3-methyl-6-[(2S)-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-[(2S)-2-methyloxiran-2-yl]cyclohex-2-en-1-one is sourced from PubChem (CID 10511265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).