1-cyclobutyl-2-methoxypentan-1-one

C10H18O2 — CID 116708018

IUPAC1-cyclobutyl-2-methoxypentan-1-one
SMILESCCCC(OC)C(=O)C1CCC1
InChIInChI=1S/C10H18O2/c1-3-5-9(12-2)10(11)8-6-4-7-8/h8-9H,3-7H2,1-2H3
InChIKeyOSPBELAEDQFRAJ-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.17
Rot. Bonds5

About 1-cyclobutyl-2-methoxypentan-1-one

1-cyclobutyl-2-methoxypentan-1-one (PubChem CID 116708018) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 1-cyclobutyl-2-methoxypentan-1-one.

Molecular Properties

Compound Name1-cyclobutyl-2-methoxypentan-1-one
PubChem CID116708018
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name1-cyclobutyl-2-methoxypentan-1-one
SMILESCCCC(OC)C(=O)C1CCC1
InChIInChI=1S/C10H18O2/c1-3-5-9(12-2)10(11)8-6-4-7-8/h8-9H,3-7H2,1-2H3
InChIKeyOSPBELAEDQFRAJ-UHFFFAOYSA-N
XLogP2.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-2-methylbutan-1-one
CID 79446135
(2S)-1-cyclobutyl-2-methylbutan-1-one
CID 142214969
2-ethoxy-1-(3-methylsulfonylcyclohexyl)pentan-1-one
CID 116707952
2-methoxy-1-(oxan-3-yl)butan-1-one
CID 107136005
ethyl 2-(cyclooctanecarbonyl)pentanoate
CID 83043739
methyl (2R)-2-methoxypentanoate
CID 30403288
1-cyclobutyl-2-methoxy-3,3-dimethylbutan-1-one
CID 116709506
2-(cyclooctanecarbonyl)pentanenitrile
CID 79405801
3-methoxy-2-oxohexanal
CID 91124811
methyl 4-methoxy-2-methyl-3-oxoheptanoate
CID 116728016
ethyl 2-(cyclopropanecarbonyl)pentanoate
CID 83049474
1,3-di(cyclobutyl)-2-methylpropane-1,3-dione
CID 165484396

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-methoxypentan-1-one?
The IUPAC name of 1-cyclobutyl-2-methoxypentan-1-one (CID 116708018) is 1-cyclobutyl-2-methoxypentan-1-one.
What is the SMILES notation for 1-cyclobutyl-2-methoxypentan-1-one?
The canonical SMILES for 1-cyclobutyl-2-methoxypentan-1-one is CCCC(OC)C(=O)C1CCC1.
What is the InChIKey of 1-cyclobutyl-2-methoxypentan-1-one?
The InChIKey is OSPBELAEDQFRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-3-5-9(12-2)10(11)8-6-4-7-8/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-cyclobutyl-2-methoxypentan-1-one?
1-cyclobutyl-2-methoxypentan-1-one has a molecular weight of 170.25 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-methoxypentan-1-one is sourced from PubChem (CID 116708018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).