1-(2-methoxycyclohexen-1-yl)ethanone

C9H14O2 — CID 130032037

IUPAC1-(2-methoxycyclohexen-1-yl)ethanone
SMILESCOC1=C(C(C)=O)CCCC1
InChIInChI=1S/C9H14O2/c1-7(10)8-5-3-4-6-9(8)11-2/h3-6H2,1-2H3
InChIKeyYAQYPXVLRYJRKF-UHFFFAOYSA-N
MW154.21 g/mol
LogP2.05
Rot. Bonds2

About 1-(2-methoxycyclohexen-1-yl)ethanone

1-(2-methoxycyclohexen-1-yl)ethanone (PubChem CID 130032037) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-(2-methoxycyclohexen-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-methoxycyclohexen-1-yl)ethanone
PubChem CID130032037
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name1-(2-methoxycyclohexen-1-yl)ethanone
SMILESCOC1=C(C(C)=O)CCCC1
InChIInChI=1S/C9H14O2/c1-7(10)8-5-3-4-6-9(8)11-2/h3-6H2,1-2H3
InChIKeyYAQYPXVLRYJRKF-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxycyclohexen-1-yl)ethanone?
The IUPAC name of 1-(2-methoxycyclohexen-1-yl)ethanone (CID 130032037) is 1-(2-methoxycyclohexen-1-yl)ethanone.
What is the SMILES notation for 1-(2-methoxycyclohexen-1-yl)ethanone?
The canonical SMILES for 1-(2-methoxycyclohexen-1-yl)ethanone is COC1=C(C(C)=O)CCCC1.
What is the InChIKey of 1-(2-methoxycyclohexen-1-yl)ethanone?
The InChIKey is YAQYPXVLRYJRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-7(10)8-5-3-4-6-9(8)11-2/h3-6H2,1-2H3.
What are the key properties of 1-(2-methoxycyclohexen-1-yl)ethanone?
1-(2-methoxycyclohexen-1-yl)ethanone has a molecular weight of 154.21 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxycyclohexen-1-yl)ethanone is sourced from PubChem (CID 130032037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).