(5R,6R)-5-(methoxymethoxy)-6-methylcyclohex-2-en-1-one

C9H14O3 — CID 53304751

IUPAC(5R,6R)-5-(methoxymethoxy)-6-methylcyclohex-2-en-1-one
SMILESCOCO[C@@H]1CC=CC(=O)[C@@H]1C
InChIInChI=1S/C9H14O3/c1-7-8(10)4-3-5-9(7)12-6-11-2/h3-4,7,9H,5-6H2,1-2H3/t7-,9+/m0/s1
InChIKeyJXQFOQVXZGDBDI-IONNQARKSA-N
MW170.21 g/mol
LogP1.14
Rot. Bonds3

About (5R,6R)-5-(methoxymethoxy)-6-methylcyclohex-2-en-1-one

(5R,6R)-5-(methoxymethoxy)-6-methylcyclohex-2-en-1-one (PubChem CID 53304751) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is (5R,6R)-5-(methoxymethoxy)-6-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name(5R,6R)-5-(methoxymethoxy)-6-methylcyclohex-2-en-1-one
PubChem CID53304751
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name(5R,6R)-5-(methoxymethoxy)-6-methylcyclohex-2-en-1-one
SMILESCOCO[C@@H]1CC=CC(=O)[C@@H]1C
InChIInChI=1S/C9H14O3/c1-7-8(10)4-3-5-9(7)12-6-11-2/h3-4,7,9H,5-6H2,1-2H3/t7-,9+/m0/s1
InChIKeyJXQFOQVXZGDBDI-IONNQARKSA-N
XLogP1.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(5S)-5-(methoxymethoxy)cyclohex-2-en-1-one
CID 11686945
(5S,6R)-6-(methoxymethoxy)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
CID 45097229
5-(1-Ethoxyethoxymethyl)cyclohex-2-en-1-one
CID 85385459
(4aR,8aS)-2,2-dimethyl-4,4a,8,8a-tetrahydro-1,3-benzodioxin-5-one
CID 10749943
(E)-8-ethyl-3,9-dimethoxy-2,4-dimethyldec-6-en-5-one
CID 20687575
Ethyl (6-methyl-2-oxocyclohex-3-en-1-yl) carbonate
CID 21804644
5-(Dimethoxymethyl)cyclohex-2-en-1-one
CID 57024438
(4R,5R,6S)-5-methoxy-4-methyl-6-[(E)-6-methylhept-2-en-2-yl]cyclohex-2-en-1-one
CID 60115108
6-(1,1-Diethoxyethyl)cyclohexa-2,4-dien-1-one
CID 140971223
(5S)-5-(1-ethoxyethoxymethyl)cyclohex-2-en-1-one
CID 11063403
(5R)-6-(methoxymethoxy)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
CID 11830701
4-(Dimethoxymethyl)cyclohex-2-en-1-one
CID 12386493

Frequently Asked Questions

What is the IUPAC name of (5R,6R)-5-(methoxymethoxy)-6-methylcyclohex-2-en-1-one?
The IUPAC name of (5R,6R)-5-(methoxymethoxy)-6-methylcyclohex-2-en-1-one (CID 53304751) is (5R,6R)-5-(methoxymethoxy)-6-methylcyclohex-2-en-1-one.
What is the SMILES notation for (5R,6R)-5-(methoxymethoxy)-6-methylcyclohex-2-en-1-one?
The canonical SMILES for (5R,6R)-5-(methoxymethoxy)-6-methylcyclohex-2-en-1-one is COCO[C@@H]1CC=CC(=O)[C@@H]1C.
What is the InChIKey of (5R,6R)-5-(methoxymethoxy)-6-methylcyclohex-2-en-1-one?
The InChIKey is JXQFOQVXZGDBDI-IONNQARKSA-N. The full InChI is InChI=1S/C9H14O3/c1-7-8(10)4-3-5-9(7)12-6-11-2/h3-4,7,9H,5-6H2,1-2H3/t7-,9+/m0/s1.
What are the key properties of (5R,6R)-5-(methoxymethoxy)-6-methylcyclohex-2-en-1-one?
(5R,6R)-5-(methoxymethoxy)-6-methylcyclohex-2-en-1-one has a molecular weight of 170.21 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-5-(methoxymethoxy)-6-methylcyclohex-2-en-1-one is sourced from PubChem (CID 53304751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).