4-methoxy-2,5-dimethylcyclohex-2-en-1-one

C9H14O2 — CID 123615702

IUPAC4-methoxy-2,5-dimethylcyclohex-2-en-1-one
SMILESCOC1C=C(C)C(=O)CC1C
InChIInChI=1S/C9H14O2/c1-6-5-9(11-3)7(2)4-8(6)10/h5,7,9H,4H2,1-3H3
InChIKeyFTHGPZJKAXTHDA-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.56
Rot. Bonds1

About 4-methoxy-2,5-dimethylcyclohex-2-en-1-one

4-methoxy-2,5-dimethylcyclohex-2-en-1-one (PubChem CID 123615702) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 4-methoxy-2,5-dimethylcyclohex-2-en-1-one.

Molecular Properties

Compound Name4-methoxy-2,5-dimethylcyclohex-2-en-1-one
PubChem CID123615702
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name4-methoxy-2,5-dimethylcyclohex-2-en-1-one
SMILESCOC1C=C(C)C(=O)CC1C
InChIInChI=1S/C9H14O2/c1-6-5-9(11-3)7(2)4-8(6)10/h5,7,9H,4H2,1-3H3
InChIKeyFTHGPZJKAXTHDA-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Hydroxy-p-mentha-6,8-dien-2-one
CID 14379178
6-Methyl-4-(5-methyl-4-oxocyclohex-2-en-1-yl)oxycyclohex-2-en-1-one
CID 75166531
(4S,5R)-4-hydroxy-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
CID 14379179
Epoxydine A
CID 139583546
2-(Methoxymethyl)cyclohex-2-en-1-one
CID 13005778
2-Cyclohexen-1-one, 4-acetoxy-2,6,6-trimethyl-
CID 566620
Methyl 6-methyl-3-oxocyclohexene-1-carboxylate
CID 20687956
4,4-Dimethoxy-2-methylcyclohex-2-en-1-one
CID 130030253
4-Butyl-4-methoxy-2-methylcyclohex-2-en-1-one
CID 134922463
((4r,4'S,6s,6's)-4,4'-oxybis(6-methylcyclohex-2-en-1-one))
CID 157659968
3-[(4,7-Dimethyl-6-oxo-2,4a,5,8a-tetrahydrochromen-2-yl)methyl]but-3-enyl hypofluorite
CID 169186239
cis-5-Hydroxymentha-1(6),8-dien-2-one
CID 6429094

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,5-dimethylcyclohex-2-en-1-one?
The IUPAC name of 4-methoxy-2,5-dimethylcyclohex-2-en-1-one (CID 123615702) is 4-methoxy-2,5-dimethylcyclohex-2-en-1-one.
What is the SMILES notation for 4-methoxy-2,5-dimethylcyclohex-2-en-1-one?
The canonical SMILES for 4-methoxy-2,5-dimethylcyclohex-2-en-1-one is COC1C=C(C)C(=O)CC1C.
What is the InChIKey of 4-methoxy-2,5-dimethylcyclohex-2-en-1-one?
The InChIKey is FTHGPZJKAXTHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-6-5-9(11-3)7(2)4-8(6)10/h5,7,9H,4H2,1-3H3.
What are the key properties of 4-methoxy-2,5-dimethylcyclohex-2-en-1-one?
4-methoxy-2,5-dimethylcyclohex-2-en-1-one has a molecular weight of 154.21 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,5-dimethylcyclohex-2-en-1-one is sourced from PubChem (CID 123615702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).