(5R,6R)-2,3-dimethoxy-5,6-dimethylcyclohex-2-ene-1,4-dione

C10H14O4 — CID 155859146

IUPAC(5R,6R)-2,3-dimethoxy-5,6-dimethylcyclohex-2-ene-1,4-dione
SMILESCOC1=C(OC)C(=O)[C@H](C)[C@@H](C)C1=O
InChIInChI=1S/C10H14O4/c1-5-6(2)8(12)10(14-4)9(13-3)7(5)11/h5-6H,1-4H3/t5-,6-/m1/s1
InChIKeyOTGRRZBXIQUVOS-PHDIDXHHSA-N
MW198.22 g/mol
LogP0.91
Rot. Bonds2

About (5R,6R)-2,3-dimethoxy-5,6-dimethylcyclohex-2-ene-1,4-dione

(5R,6R)-2,3-dimethoxy-5,6-dimethylcyclohex-2-ene-1,4-dione (PubChem CID 155859146) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is (5R,6R)-2,3-dimethoxy-5,6-dimethylcyclohex-2-ene-1,4-dione.

Molecular Properties

Compound Name(5R,6R)-2,3-dimethoxy-5,6-dimethylcyclohex-2-ene-1,4-dione
PubChem CID155859146
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name(5R,6R)-2,3-dimethoxy-5,6-dimethylcyclohex-2-ene-1,4-dione
SMILESCOC1=C(OC)C(=O)[C@H](C)[C@@H](C)C1=O
InChIInChI=1S/C10H14O4/c1-5-6(2)8(12)10(14-4)9(13-3)7(5)11/h5-6H,1-4H3/t5-,6-/m1/s1
InChIKeyOTGRRZBXIQUVOS-PHDIDXHHSA-N
XLogP0.91
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R,6R)-2,3-dimethoxy-5,6-dimethylcyclohex-2-ene-1,4-dione?
The IUPAC name of (5R,6R)-2,3-dimethoxy-5,6-dimethylcyclohex-2-ene-1,4-dione (CID 155859146) is (5R,6R)-2,3-dimethoxy-5,6-dimethylcyclohex-2-ene-1,4-dione.
What is the SMILES notation for (5R,6R)-2,3-dimethoxy-5,6-dimethylcyclohex-2-ene-1,4-dione?
The canonical SMILES for (5R,6R)-2,3-dimethoxy-5,6-dimethylcyclohex-2-ene-1,4-dione is COC1=C(OC)C(=O)[C@H](C)[C@@H](C)C1=O.
What is the InChIKey of (5R,6R)-2,3-dimethoxy-5,6-dimethylcyclohex-2-ene-1,4-dione?
The InChIKey is OTGRRZBXIQUVOS-PHDIDXHHSA-N. The full InChI is InChI=1S/C10H14O4/c1-5-6(2)8(12)10(14-4)9(13-3)7(5)11/h5-6H,1-4H3/t5-,6-/m1/s1.
What are the key properties of (5R,6R)-2,3-dimethoxy-5,6-dimethylcyclohex-2-ene-1,4-dione?
(5R,6R)-2,3-dimethoxy-5,6-dimethylcyclohex-2-ene-1,4-dione has a molecular weight of 198.22 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-2,3-dimethoxy-5,6-dimethylcyclohex-2-ene-1,4-dione is sourced from PubChem (CID 155859146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).