2-methoxy-3,6-dimethylcyclohex-2-en-1-one

C9H14O2 — CID 123944444

IUPAC2-methoxy-3,6-dimethylcyclohex-2-en-1-one
SMILESCOC1=C(C)CCC(C)C1=O
InChIInChI=1S/C9H14O2/c1-6-4-5-7(2)9(11-3)8(6)10/h6H,4-5H2,1-3H3
InChIKeyIFZBAYRFVDYNGL-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.91
Rot. Bonds1

About 2-methoxy-3,6-dimethylcyclohex-2-en-1-one

2-methoxy-3,6-dimethylcyclohex-2-en-1-one (PubChem CID 123944444) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-methoxy-3,6-dimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name2-methoxy-3,6-dimethylcyclohex-2-en-1-one
PubChem CID123944444
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name2-methoxy-3,6-dimethylcyclohex-2-en-1-one
SMILESCOC1=C(C)CCC(C)C1=O
InChIInChI=1S/C9H14O2/c1-6-4-5-7(2)9(11-3)8(6)10/h6H,4-5H2,1-3H3
InChIKeyIFZBAYRFVDYNGL-UHFFFAOYSA-N
XLogP1.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,6-dimethylcyclohex-2-en-1-one?
The IUPAC name of 2-methoxy-3,6-dimethylcyclohex-2-en-1-one (CID 123944444) is 2-methoxy-3,6-dimethylcyclohex-2-en-1-one.
What is the SMILES notation for 2-methoxy-3,6-dimethylcyclohex-2-en-1-one?
The canonical SMILES for 2-methoxy-3,6-dimethylcyclohex-2-en-1-one is COC1=C(C)CCC(C)C1=O.
What is the InChIKey of 2-methoxy-3,6-dimethylcyclohex-2-en-1-one?
The InChIKey is IFZBAYRFVDYNGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-6-4-5-7(2)9(11-3)8(6)10/h6H,4-5H2,1-3H3.
What are the key properties of 2-methoxy-3,6-dimethylcyclohex-2-en-1-one?
2-methoxy-3,6-dimethylcyclohex-2-en-1-one has a molecular weight of 154.21 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,6-dimethylcyclohex-2-en-1-one is sourced from PubChem (CID 123944444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).