1-(3-methoxycyclohexen-1-yl)ethanone

C9H14O2 — CID 82254008

IUPAC1-(3-methoxycyclohexen-1-yl)ethanone
SMILESCOC1C=C(C(C)=O)CCC1
InChIInChI=1S/C9H14O2/c1-7(10)8-4-3-5-9(6-8)11-2/h6,9H,3-5H2,1-2H3
InChIKeyMAIOAJAFPCMFLJ-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.70
Rot. Bonds2

About 1-(3-methoxycyclohexen-1-yl)ethanone

1-(3-methoxycyclohexen-1-yl)ethanone (PubChem CID 82254008) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-(3-methoxycyclohexen-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-methoxycyclohexen-1-yl)ethanone
PubChem CID82254008
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name1-(3-methoxycyclohexen-1-yl)ethanone
SMILESCOC1C=C(C(C)=O)CCC1
InChIInChI=1S/C9H14O2/c1-7(10)8-4-3-5-9(6-8)11-2/h6,9H,3-5H2,1-2H3
InChIKeyMAIOAJAFPCMFLJ-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Methyl cyclohex-1-ene-1-carboxylate
CID 87647
3-Oxo-cyclohex-1-enecarboxylic acid methyl ester
CID 581049
Orlistat hexyl undecyl pyranone
CID 14607526
1-Cyclohexene-1-carboxylic acid, ethyl ester
CID 74173
Methyl 1-cycloheptene-1-carboxylate
CID 565412
3-Ethylidene-6-(propen-2-yl)tetrahydro-2H-pyran-2-one
CID 72771113
1-(3-Hydroxy-1-cyclohexen-1-yl)ethanone
CID 13624464
(+)-(5s)-3-Dodecyl-5-methylfuran-2(5h)-one
CID 101012047
Methyl 5-methoxycyclohexene-1-carboxylate
CID 164668507
3-Hexyl-5-methyl-3-oxol-2-one
CID 11074041
2-(Methoxymethyl)cyclohex-2-en-1-one
CID 13005778
methyl (2E)-2-ethylidenedecanoate
CID 13863971

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxycyclohexen-1-yl)ethanone?
The IUPAC name of 1-(3-methoxycyclohexen-1-yl)ethanone (CID 82254008) is 1-(3-methoxycyclohexen-1-yl)ethanone.
What is the SMILES notation for 1-(3-methoxycyclohexen-1-yl)ethanone?
The canonical SMILES for 1-(3-methoxycyclohexen-1-yl)ethanone is COC1C=C(C(C)=O)CCC1.
What is the InChIKey of 1-(3-methoxycyclohexen-1-yl)ethanone?
The InChIKey is MAIOAJAFPCMFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-7(10)8-4-3-5-9(6-8)11-2/h6,9H,3-5H2,1-2H3.
What are the key properties of 1-(3-methoxycyclohexen-1-yl)ethanone?
1-(3-methoxycyclohexen-1-yl)ethanone has a molecular weight of 154.21 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxycyclohexen-1-yl)ethanone is sourced from PubChem (CID 82254008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).