1-cyclohexyl-2-(1-methoxycyclobutyl)ethanone

C13H22O2 — CID 103558733

IUPAC1-cyclohexyl-2-(1-methoxycyclobutyl)ethanone
SMILESCOC1(CC(=O)C2CCCCC2)CCC1
InChIInChI=1S/C13H22O2/c1-15-13(8-5-9-13)10-12(14)11-6-3-2-4-7-11/h11H,2-10H2,1H3
InChIKeyWOMUOBHYGKMEQB-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.10
Rot. Bonds4

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

1-cyclohexyl-2-(1-methoxycyclobutyl)ethanone (PubChem CID 103558733) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-cyclohexyl-2-(1-methoxycyclobutyl)ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-(1-methoxycyclobutyl)ethanone
PubChem CID103558733
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name1-cyclohexyl-2-(1-methoxycyclobutyl)ethanone
SMILESCOC1(CC(=O)C2CCCCC2)CCC1
InChIInChI=1S/C13H22O2/c1-15-13(8-5-9-13)10-12(14)11-6-3-2-4-7-11/h11H,2-10H2,1H3
InChIKeyWOMUOBHYGKMEQB-UHFFFAOYSA-N
XLogP3.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-2-(1-methoxycyclobutyl)ethanone
CID 103558973
2-(1-methoxycyclobutyl)-1-(oxolan-3-yl)ethanone
CID 103558815
2-(1-aminocyclobutyl)-1-cycloheptylethanone
CID 116591382
1-(1-methoxycyclobutyl)but-3-yn-2-one
CID 103558857
1-[2-(1-methoxycyclobutyl)acetyl]azetidine-3-carboxylic acid
CID 103555656
2-(1-aminocyclobutyl)-1-cyclopentylethanone
CID 116591112
2-cyclohexyl-2-[[2-(1-methoxycyclobutyl)acetyl]amino]acetic acid
CID 103555560
3-[[2-(1-methoxycyclobutyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 103555615
1-(1-methoxycyclobutyl)-3-(thian-4-yl)propan-2-one
CID 103556880
2-(1-methoxycyclobutyl)acetohydrazide
CID 103555801
1-cyclohexyl-3-[(1-methoxycyclobutyl)methyl]thiourea
CID 113360608
N-[2-(chloromethyl)cyclohexyl]-2-(1-methoxycyclobutyl)acetamide
CID 106366815

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-(1-methoxycyclobutyl)ethanone?
The IUPAC name of 1-cyclohexyl-2-(1-methoxycyclobutyl)ethanone (CID 103558733) is 1-cyclohexyl-2-(1-methoxycyclobutyl)ethanone.
What is the SMILES notation for 1-cyclohexyl-2-(1-methoxycyclobutyl)ethanone?
The canonical SMILES for 1-cyclohexyl-2-(1-methoxycyclobutyl)ethanone is COC1(CC(=O)C2CCCCC2)CCC1.
What is the InChIKey of 1-cyclohexyl-2-(1-methoxycyclobutyl)ethanone?
The InChIKey is WOMUOBHYGKMEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-15-13(8-5-9-13)10-12(14)11-6-3-2-4-7-11/h11H,2-10H2,1H3.
What are the key properties of 1-cyclohexyl-2-(1-methoxycyclobutyl)ethanone?
1-cyclohexyl-2-(1-methoxycyclobutyl)ethanone has a molecular weight of 210.32 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-(1-methoxycyclobutyl)ethanone is sourced from PubChem (CID 103558733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).