1-cyclobutyl-2-(3-ethoxycyclobutyl)ethanone

C12H20O2 — CID 103168138

IUPAC1-cyclobutyl-2-(3-ethoxycyclobutyl)ethanone
SMILESCCOC1CC(CC(=O)C2CCC2)C1
InChIInChI=1S/C12H20O2/c1-2-14-11-6-9(7-11)8-12(13)10-4-3-5-10/h9-11H,2-8H2,1H3
InChIKeyIZIYMBMOQFZTGG-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.56
Rot. Bonds5

About 1-cyclobutyl-2-(3-ethoxycyclobutyl)ethanone

1-cyclobutyl-2-(3-ethoxycyclobutyl)ethanone (PubChem CID 103168138) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-cyclobutyl-2-(3-ethoxycyclobutyl)ethanone.

Molecular Properties

Compound Name1-cyclobutyl-2-(3-ethoxycyclobutyl)ethanone
PubChem CID103168138
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name1-cyclobutyl-2-(3-ethoxycyclobutyl)ethanone
SMILESCCOC1CC(CC(=O)C2CCC2)C1
InChIInChI=1S/C12H20O2/c1-2-14-11-6-9(7-11)8-12(13)10-4-3-5-10/h9-11H,2-8H2,1H3
InChIKeyIZIYMBMOQFZTGG-UHFFFAOYSA-N
XLogP2.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-(3-ethoxycyclobutyl)ethanone?
The IUPAC name of 1-cyclobutyl-2-(3-ethoxycyclobutyl)ethanone (CID 103168138) is 1-cyclobutyl-2-(3-ethoxycyclobutyl)ethanone.
What is the SMILES notation for 1-cyclobutyl-2-(3-ethoxycyclobutyl)ethanone?
The canonical SMILES for 1-cyclobutyl-2-(3-ethoxycyclobutyl)ethanone is CCOC1CC(CC(=O)C2CCC2)C1.
What is the InChIKey of 1-cyclobutyl-2-(3-ethoxycyclobutyl)ethanone?
The InChIKey is IZIYMBMOQFZTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-14-11-6-9(7-11)8-12(13)10-4-3-5-10/h9-11H,2-8H2,1H3.
What are the key properties of 1-cyclobutyl-2-(3-ethoxycyclobutyl)ethanone?
1-cyclobutyl-2-(3-ethoxycyclobutyl)ethanone has a molecular weight of 196.29 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-(3-ethoxycyclobutyl)ethanone is sourced from PubChem (CID 103168138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).