6-ethoxy-4-methylcyclohex-2-en-1-one

C9H14O2 — CID 130029918

IUPAC6-ethoxy-4-methylcyclohex-2-en-1-one
SMILESCCOC1CC(C)C=CC1=O
InChIInChI=1S/C9H14O2/c1-3-11-9-6-7(2)4-5-8(9)10/h4-5,7,9H,3,6H2,1-2H3
InChIKeyUYPGFCQAZRTJQD-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.56
Rot. Bonds2

About 6-ethoxy-4-methylcyclohex-2-en-1-one

6-ethoxy-4-methylcyclohex-2-en-1-one (PubChem CID 130029918) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 6-ethoxy-4-methylcyclohex-2-en-1-one.

Molecular Properties

Compound Name6-ethoxy-4-methylcyclohex-2-en-1-one
PubChem CID130029918
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name6-ethoxy-4-methylcyclohex-2-en-1-one
SMILESCCOC1CC(C)C=CC1=O
InChIInChI=1S/C9H14O2/c1-3-11-9-6-7(2)4-5-8(9)10/h4-5,7,9H,3,6H2,1-2H3
InChIKeyUYPGFCQAZRTJQD-UHFFFAOYSA-N
XLogP1.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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

(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-methyl-3-(5-oxo-2H-pyran-2-yl)propanal
CID 44351567
2-methyl-3-(6-methyl-5-oxo-2H-pyran-2-yl)propanal
CID 44351602
2-Cyclohexen-1-one, 6-methoxy-
CID 11083897
Acetic acid 2-oxo-cyclohex-3-enyl ester
CID 11389500
3-(5-Methoxy-4-oxocyclohex-2-en-1-yl)prop-2-enyl acetate
CID 90725405
6-Ethoxy-6-methyl-2-cyclohexenone
CID 537457
[(1S,6S)-6-methyl-2-oxocyclohex-3-en-1-yl] acetate
CID 130965023
6-Acetoxy-4,4-dimethylcyclohex-2-enone
CID 13380299
6-Hexoxy-4,4-dimethylcyclohex-2-en-1-one
CID 18320126

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-methylcyclohex-2-en-1-one?
The IUPAC name of 6-ethoxy-4-methylcyclohex-2-en-1-one (CID 130029918) is 6-ethoxy-4-methylcyclohex-2-en-1-one.
What is the SMILES notation for 6-ethoxy-4-methylcyclohex-2-en-1-one?
The canonical SMILES for 6-ethoxy-4-methylcyclohex-2-en-1-one is CCOC1CC(C)C=CC1=O.
What is the InChIKey of 6-ethoxy-4-methylcyclohex-2-en-1-one?
The InChIKey is UYPGFCQAZRTJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-3-11-9-6-7(2)4-5-8(9)10/h4-5,7,9H,3,6H2,1-2H3.
What are the key properties of 6-ethoxy-4-methylcyclohex-2-en-1-one?
6-ethoxy-4-methylcyclohex-2-en-1-one has a molecular weight of 154.21 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-methylcyclohex-2-en-1-one is sourced from PubChem (CID 130029918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).