6-methoxy-5-methylcyclohex-2-en-1-one

C8H12O2 — CID 123762561

IUPAC6-methoxy-5-methylcyclohex-2-en-1-one
SMILESCOC1C(=O)C=CCC1C
InChIInChI=1S/C8H12O2/c1-6-4-3-5-7(9)8(6)10-2/h3,5-6,8H,4H2,1-2H3
InChIKeyNHWKVCWRXRQSFQ-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.17
Rot. Bonds1

About 6-methoxy-5-methylcyclohex-2-en-1-one

6-methoxy-5-methylcyclohex-2-en-1-one (PubChem CID 123762561) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 6-methoxy-5-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name6-methoxy-5-methylcyclohex-2-en-1-one
PubChem CID123762561
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name6-methoxy-5-methylcyclohex-2-en-1-one
SMILESCOC1C(=O)C=CCC1C
InChIInChI=1S/C8H12O2/c1-6-4-3-5-7(9)8(6)10-2/h3,5-6,8H,4H2,1-2H3
InChIKeyNHWKVCWRXRQSFQ-UHFFFAOYSA-N
XLogP1.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,4E,8E)-5,9-dimethyl-2-propan-2-yl-1-oxacycloundeca-4,8-diene-3,10-dione
CID 163195494
4-(3-Hydroxyprop-1-enyl)-6-methoxycyclohex-2-en-1-one
CID 54177069
6-Methoxy-4-prop-2-enylcyclohex-2-en-1-one
CID 54415987
2-Cyclohexen-1-one, 6-methoxy-
CID 11083897
(5S,6R)-6-(methoxymethoxy)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one
CID 45097229
6-Ethoxy-6-methyl-2-cyclohexenone
CID 537457
6-Hydroxy-5-methylcyclohex-2-en-1-one
CID 13448216
(5S,6S)-6-hydroxy-5-methylcyclohex-2-en-1-one
CID 15939670
[(1S,6S)-6-methyl-2-oxocyclohex-3-en-1-yl] acetate
CID 130965023
5,8-Dihydro-5-ethyl-2-methoxynaphthalene1,4-dione
CID 10822679
4,4-Dimethyl-6-pentoxycyclohex-2-en-1-one
CID 18320159
(E)-8-ethyl-3,9-dimethoxy-2,4-dimethyldec-6-en-5-one
CID 20687575

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-methylcyclohex-2-en-1-one?
The IUPAC name of 6-methoxy-5-methylcyclohex-2-en-1-one (CID 123762561) is 6-methoxy-5-methylcyclohex-2-en-1-one.
What is the SMILES notation for 6-methoxy-5-methylcyclohex-2-en-1-one?
The canonical SMILES for 6-methoxy-5-methylcyclohex-2-en-1-one is COC1C(=O)C=CCC1C.
What is the InChIKey of 6-methoxy-5-methylcyclohex-2-en-1-one?
The InChIKey is NHWKVCWRXRQSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-6-4-3-5-7(9)8(6)10-2/h3,5-6,8H,4H2,1-2H3.
What are the key properties of 6-methoxy-5-methylcyclohex-2-en-1-one?
6-methoxy-5-methylcyclohex-2-en-1-one has a molecular weight of 140.18 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-methylcyclohex-2-en-1-one is sourced from PubChem (CID 123762561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).