methyl 2-[1-(2-butoxyethoxy)cyclobutyl]acetate

C13H24O4 — CID 103272535

IUPACmethyl 2-[1-(2-butoxyethoxy)cyclobutyl]acetate
SMILESCCCCOCCOC1(CC(=O)OC)CCC1
InChIInChI=1S/C13H24O4/c1-3-4-8-16-9-10-17-13(6-5-7-13)11-12(14)15-2/h3-11H2,1-2H3
InChIKeyHOGIRZAIFCPSRY-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.31
Rot. Bonds9

About methyl 2-[1-(2-butoxyethoxy)cyclobutyl]acetate

methyl 2-[1-(2-butoxyethoxy)cyclobutyl]acetate (PubChem CID 103272535) has the molecular formula C13H24O4 and a molecular weight of 244.33 g/mol. Its IUPAC name is methyl 2-[1-(2-butoxyethoxy)cyclobutyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(2-butoxyethoxy)cyclobutyl]acetate
PubChem CID103272535
Molecular FormulaC13H24O4
Molecular Weight244.33 g/mol
Exact Mass244.17
IUPAC Namemethyl 2-[1-(2-butoxyethoxy)cyclobutyl]acetate
SMILESCCCCOCCOC1(CC(=O)OC)CCC1
InChIInChI=1S/C13H24O4/c1-3-4-8-16-9-10-17-13(6-5-7-13)11-12(14)15-2/h3-11H2,1-2H3
InChIKeyHOGIRZAIFCPSRY-UHFFFAOYSA-N
XLogP2.31
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-(1-hydroxycyclobutyl)acetate
CID 58134840
2-(1-Ethoxycyclobutyl)acetic acid
CID 23564095
Methyl 3-acetyloxy-2-cyclobutylpropanoate
CID 176430894
Methyl 2-[1-(4,4,4-trifluorobutoxy)cyclobutyl]acetate
CID 103272833
[1-[(2-Methylpropan-2-yl)oxy]-1-oxopentan-3-yl] hexanoate
CID 19889211
Tert-butyl 3-butanoyloxyhexanoate
CID 20467275
[(3R)-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-3-yl] hexanoate
CID 22844820
2-(2-Methylbutan-2-ylperoxy)ethyl hexanoate
CID 53946065
6-[2-(2-Methylbutan-2-yloxy)ethoxy]hexanoate
CID 57758826
Ethyl 6-[2-(2-methylbutan-2-yloxy)ethoxy]hexanoate
CID 57758854
Tert-butyl 1-oxaspiro[2.3]hexane-2-carboxylate
CID 89582063
Tert-butyl 3-(2-cyclobutylethoxy)propanoate
CID 106199410

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2-butoxyethoxy)cyclobutyl]acetate?
The IUPAC name of methyl 2-[1-(2-butoxyethoxy)cyclobutyl]acetate (CID 103272535) is methyl 2-[1-(2-butoxyethoxy)cyclobutyl]acetate.
What is the SMILES notation for methyl 2-[1-(2-butoxyethoxy)cyclobutyl]acetate?
The canonical SMILES for methyl 2-[1-(2-butoxyethoxy)cyclobutyl]acetate is CCCCOCCOC1(CC(=O)OC)CCC1.
What is the InChIKey of methyl 2-[1-(2-butoxyethoxy)cyclobutyl]acetate?
The InChIKey is HOGIRZAIFCPSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O4/c1-3-4-8-16-9-10-17-13(6-5-7-13)11-12(14)15-2/h3-11H2,1-2H3.
What are the key properties of methyl 2-[1-(2-butoxyethoxy)cyclobutyl]acetate?
methyl 2-[1-(2-butoxyethoxy)cyclobutyl]acetate has a molecular weight of 244.33 g/mol, XLogP of 2.31, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2-butoxyethoxy)cyclobutyl]acetate is sourced from PubChem (CID 103272535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).