5-methoxycyclohex-2-en-1-one

C7H10O2 — CID 130036876

IUPAC5-methoxycyclohex-2-en-1-one
SMILESCOC1CC=CC(=O)C1
InChIInChI=1S/C7H10O2/c1-9-7-4-2-3-6(8)5-7/h2-3,7H,4-5H2,1H3
InChIKeyCLAKHSWTVLCGMU-UHFFFAOYSA-N
MW126.15 g/mol
LogP0.92
Rot. Bonds1

About 5-methoxycyclohex-2-en-1-one

5-methoxycyclohex-2-en-1-one (PubChem CID 130036876) has the molecular formula C7H10O2 and a molecular weight of 126.15 g/mol. Its IUPAC name is 5-methoxycyclohex-2-en-1-one.

Molecular Properties

Compound Name5-methoxycyclohex-2-en-1-one
PubChem CID130036876
Molecular FormulaC7H10O2
Molecular Weight126.15 g/mol
Exact Mass126.07
IUPAC Name5-methoxycyclohex-2-en-1-one
SMILESCOC1CC=CC(=O)C1
InChIInChI=1S/C7H10O2/c1-9-7-4-2-3-6(8)5-7/h2-3,7H,4-5H2,1H3
InChIKeyCLAKHSWTVLCGMU-UHFFFAOYSA-N
XLogP0.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.15
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4H-Pyran-4-one, 2-ethyl-2,3-dihydro-6-methyl-
CID 11434994
Hepialone
CID 10942522
4-Hydroxycyclohexen-2-one
CID 53678703
2-Cyclohexen-1-one, 6-methoxy-
CID 11083897
Cfauevtukydusg-uhfffaoysa-
CID 23245528
(5S)-5-(methoxymethoxy)cyclohex-2-en-1-one
CID 11686945
(r)-2,6-Diethyl-2,3-dihydro-4h-pyran-4-one
CID 129776253
Methoxy-3-nonen-5-one
CID 129802250
6-Methoxycyclohept-2-en-1-one
CID 130029856
[(1S)-5-oxocyclohex-3-en-1-yl] acetate
CID 101087432
(5S)-5-hydroxycyclohex-2-en-1-one
CID 11286450
5-Ethoxycyclohex-2-en-1-one
CID 13584880

Frequently Asked Questions

What is the IUPAC name of 5-methoxycyclohex-2-en-1-one?
The IUPAC name of 5-methoxycyclohex-2-en-1-one (CID 130036876) is 5-methoxycyclohex-2-en-1-one.
What is the SMILES notation for 5-methoxycyclohex-2-en-1-one?
The canonical SMILES for 5-methoxycyclohex-2-en-1-one is COC1CC=CC(=O)C1.
What is the InChIKey of 5-methoxycyclohex-2-en-1-one?
The InChIKey is CLAKHSWTVLCGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-9-7-4-2-3-6(8)5-7/h2-3,7H,4-5H2,1H3.
What are the key properties of 5-methoxycyclohex-2-en-1-one?
5-methoxycyclohex-2-en-1-one has a molecular weight of 126.15 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxycyclohex-2-en-1-one is sourced from PubChem (CID 130036876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).