4-(2-methoxyethyl)cyclohex-2-en-1-one

C9H14O2 — CID 91521970

IUPAC4-(2-methoxyethyl)cyclohex-2-en-1-one
SMILESCOCCC1C=CC(=O)CC1
InChIInChI=1S/C9H14O2/c1-11-7-6-8-2-4-9(10)5-3-8/h2,4,8H,3,5-7H2,1H3
InChIKeyBAVVIRNYZNCMOA-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.56
Rot. Bonds3

About 4-(2-methoxyethyl)cyclohex-2-en-1-one

4-(2-methoxyethyl)cyclohex-2-en-1-one (PubChem CID 91521970) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 4-(2-methoxyethyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name4-(2-methoxyethyl)cyclohex-2-en-1-one
PubChem CID91521970
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name4-(2-methoxyethyl)cyclohex-2-en-1-one
SMILESCOCCC1C=CC(=O)CC1
InChIInChI=1S/C9H14O2/c1-11-7-6-8-2-4-9(10)5-3-8/h2,4,8H,3,5-7H2,1H3
InChIKeyBAVVIRNYZNCMOA-UHFFFAOYSA-N
XLogP1.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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

6-Butyl-3-methoxy-2-cyclohexen-1-one
CID 580988
5-(2-Methoxyethyl)-6,6-dimethylcyclohex-2-enone
CID 21580131
6-Methoxy-4-prop-2-enylcyclohex-2-en-1-one
CID 54415987
(2-Oxocyclohex-3-enyl)acetic acid, methyl ester
CID 549432
3-Ethoxy-6-(3-methylbutyl)cyclohex-2-en-1-one
CID 10242233
2-Cyclohexen-1-one, 3-ethoxy-6-propyl-
CID 10352328
3-Ethoxy-7-(prop-2-en-1-yl)cyclohept-2-en-1-one
CID 15670652
4-[2-(Methoxymethoxy)ethyl]-4-prop-2-enylcyclohex-2-en-1-one
CID 11106996
3-Methoxy-6-prop-2-enylcyclohex-2-en-1-one
CID 12836518
(4R)-4-(2-methyloxiran-2-yl)cyclohex-2-en-1-one
CID 14465364
(4R)-4-[2-(methoxymethoxy)ethyl]cyclohex-2-en-1-one
CID 162418960
5-(2-Fluoro-1-methoxypropan-2-yl)-2-methylcyclohex-2-en-1-one
CID 10058622

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethyl)cyclohex-2-en-1-one?
The IUPAC name of 4-(2-methoxyethyl)cyclohex-2-en-1-one (CID 91521970) is 4-(2-methoxyethyl)cyclohex-2-en-1-one.
What is the SMILES notation for 4-(2-methoxyethyl)cyclohex-2-en-1-one?
The canonical SMILES for 4-(2-methoxyethyl)cyclohex-2-en-1-one is COCCC1C=CC(=O)CC1.
What is the InChIKey of 4-(2-methoxyethyl)cyclohex-2-en-1-one?
The InChIKey is BAVVIRNYZNCMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-11-7-6-8-2-4-9(10)5-3-8/h2,4,8H,3,5-7H2,1H3.
What are the key properties of 4-(2-methoxyethyl)cyclohex-2-en-1-one?
4-(2-methoxyethyl)cyclohex-2-en-1-one has a molecular weight of 154.21 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)cyclohex-2-en-1-one is sourced from PubChem (CID 91521970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).