6-ethoxycyclohex-2-en-1-one

C8H12O2 — CID 139985487

IUPAC6-ethoxycyclohex-2-en-1-one
SMILESCCOC1CCC=CC1=O
InChIInChI=1S/C8H12O2/c1-2-10-8-6-4-3-5-7(8)9/h3,5,8H,2,4,6H2,1H3
InChIKeyXTZHEZBHBNPIJG-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.31
Rot. Bonds2

About 6-ethoxycyclohex-2-en-1-one

6-ethoxycyclohex-2-en-1-one (PubChem CID 139985487) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 6-ethoxycyclohex-2-en-1-one.

Molecular Properties

Compound Name6-ethoxycyclohex-2-en-1-one
PubChem CID139985487
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name6-ethoxycyclohex-2-en-1-one
SMILESCCOC1CCC=CC1=O
InChIInChI=1S/C8H12O2/c1-2-10-8-6-4-3-5-7(8)9/h3,5,8H,2,4,6H2,1H3
InChIKeyXTZHEZBHBNPIJG-UHFFFAOYSA-N
XLogP1.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethanone, 1-(3,4-dihydro-6-methyl-2H-pyran-2-yl)-
CID 141413
2-Cyclohexen-1-one, 6-methoxy-
CID 11083897
Acetic acid 2-oxo-cyclohex-3-enyl ester
CID 11389500
Cfauevtukydusg-uhfffaoysa-
CID 23245528
Qpsqwqgxscaatd-uhfffaoysa-
CID 23270731
(E)-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)hex-2-en-1-one
CID 16655251
(3-Iodo-2-oxocyclohex-3-en-1-yl) acetate
CID 139249225
(E)-1-(3-methyloxiran-2-yl)hept-2-en-1-one
CID 139265603
6-Ethoxy-6-methyl-2-cyclohexenone
CID 537457
(2-Oxocyclohept-3-en-1-yl) acetate
CID 11457902
[(1S,6S)-6-methyl-2-oxocyclohex-3-en-1-yl] acetate
CID 130965023
(3-Methyl-2-oxocyclohex-3-en-1-yl) acetate
CID 11542843

Frequently Asked Questions

What is the IUPAC name of 6-ethoxycyclohex-2-en-1-one?
The IUPAC name of 6-ethoxycyclohex-2-en-1-one (CID 139985487) is 6-ethoxycyclohex-2-en-1-one.
What is the SMILES notation for 6-ethoxycyclohex-2-en-1-one?
The canonical SMILES for 6-ethoxycyclohex-2-en-1-one is CCOC1CCC=CC1=O.
What is the InChIKey of 6-ethoxycyclohex-2-en-1-one?
The InChIKey is XTZHEZBHBNPIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-2-10-8-6-4-3-5-7(8)9/h3,5,8H,2,4,6H2,1H3.
What are the key properties of 6-ethoxycyclohex-2-en-1-one?
6-ethoxycyclohex-2-en-1-one has a molecular weight of 140.18 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxycyclohex-2-en-1-one is sourced from PubChem (CID 139985487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).