1-cyclobutyl-2-(1-methoxycyclobutyl)ethanone

C11H18O2 — CID 103558973

IUPAC1-cyclobutyl-2-(1-methoxycyclobutyl)ethanone
SMILESCOC1(CC(=O)C2CCC2)CCC1
InChIInChI=1S/C11H18O2/c1-13-11(6-3-7-11)8-10(12)9-4-2-5-9/h9H,2-8H2,1H3
InChIKeyIXGNRWGNLXGFQA-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.31
Rot. Bonds4

About 1-cyclobutyl-2-(1-methoxycyclobutyl)ethanone

1-cyclobutyl-2-(1-methoxycyclobutyl)ethanone (PubChem CID 103558973) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 1-cyclobutyl-2-(1-methoxycyclobutyl)ethanone.

Molecular Properties

Compound Name1-cyclobutyl-2-(1-methoxycyclobutyl)ethanone
PubChem CID103558973
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name1-cyclobutyl-2-(1-methoxycyclobutyl)ethanone
SMILESCOC1(CC(=O)C2CCC2)CCC1
InChIInChI=1S/C11H18O2/c1-13-11(6-3-7-11)8-10(12)9-4-2-5-9/h9H,2-8H2,1H3
InChIKeyIXGNRWGNLXGFQA-UHFFFAOYSA-N
XLogP2.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-2-(1-methoxycyclobutyl)ethanone
CID 103558733
2-(1-methoxycyclobutyl)-1-(oxolan-3-yl)ethanone
CID 103558815
3-[[2-(1-methoxycyclobutyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 103555615
1-(1-methoxycyclobutyl)but-3-yn-2-one
CID 103558857
2-[[2-(1-methoxycyclobutyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 103555673
1-(1-methoxycyclobutyl)-3-(thian-4-yl)propan-2-one
CID 103556880
1-[2-(1-methoxycyclobutyl)acetyl]azetidine-3-carboxylic acid
CID 103555656
2-(1-methoxycyclobutyl)acetohydrazide
CID 103555801
cyclobutyl-(1-methoxycyclobutyl)methanone
CID 116706787
2-(1-aminocyclobutyl)-1-cyclopentylethanone
CID 116591112
N-[(3-chlorocyclohexyl)methyl]-2-(1-methoxycyclobutyl)acetamide
CID 114147613
N-(2-amino-2-oxoethoxy)-2-(1-methoxycyclobutyl)acetamide
CID 103526839

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-(1-methoxycyclobutyl)ethanone?
The IUPAC name of 1-cyclobutyl-2-(1-methoxycyclobutyl)ethanone (CID 103558973) is 1-cyclobutyl-2-(1-methoxycyclobutyl)ethanone.
What is the SMILES notation for 1-cyclobutyl-2-(1-methoxycyclobutyl)ethanone?
The canonical SMILES for 1-cyclobutyl-2-(1-methoxycyclobutyl)ethanone is COC1(CC(=O)C2CCC2)CCC1.
What is the InChIKey of 1-cyclobutyl-2-(1-methoxycyclobutyl)ethanone?
The InChIKey is IXGNRWGNLXGFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-13-11(6-3-7-11)8-10(12)9-4-2-5-9/h9H,2-8H2,1H3.
What are the key properties of 1-cyclobutyl-2-(1-methoxycyclobutyl)ethanone?
1-cyclobutyl-2-(1-methoxycyclobutyl)ethanone has a molecular weight of 182.26 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-(1-methoxycyclobutyl)ethanone is sourced from PubChem (CID 103558973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).