2-cyclobutyloxyethanol;methyl 2-cyclobutyloxyacetate

C13H24O5 — CID 161149763

IUPAC2-cyclobutyloxyethanol;methyl 2-cyclobutyloxyacetate
SMILESCOC(=O)COC1CCC1.OCCOC1CCC1
InChIInChI=1S/C7H12O3.C6H12O2/c1-9-7(8)5-10-6-3-2-4-6;7-4-5-8-6-2-1-3-6/h6H,2-5H2,1H3;6-7H,1-5H2
InChIKeyUONDWZYJPMAQQD-UHFFFAOYSA-N
MW260.33 g/mol
LogP1.28
Rot. Bonds6

About 2-cyclobutyloxyethanol;methyl 2-cyclobutyloxyacetate

2-cyclobutyloxyethanol;methyl 2-cyclobutyloxyacetate (PubChem CID 161149763) has the molecular formula C13H24O5 and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-cyclobutyloxyethanol;methyl 2-cyclobutyloxyacetate.

Molecular Properties

Compound Name2-cyclobutyloxyethanol;methyl 2-cyclobutyloxyacetate
PubChem CID161149763
Molecular FormulaC13H24O5
Molecular Weight260.33 g/mol
Exact Mass260.16
IUPAC Name2-cyclobutyloxyethanol;methyl 2-cyclobutyloxyacetate
SMILESCOC(=O)COC1CCC1.OCCOC1CCC1
InChIInChI=1S/C7H12O3.C6H12O2/c1-9-7(8)5-10-6-3-2-4-6;7-4-5-8-6-2-1-3-6/h6H,2-5H2,1H3;6-7H,1-5H2
InChIKeyUONDWZYJPMAQQD-UHFFFAOYSA-N
XLogP1.28
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 144529135
methyl 2-[(3R)-piperidin-3-yl]oxyacetate
CID 99909798
cyclopentyl 2-cyclopentyloxyacetate
CID 118599673
methyl 2-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-oxoacetate
CID 112617528
methyl 2-[(3S)-pyrrolidin-3-yl]oxyacetate
CID 34180571
methyl 2-[4-[2-[4-(2-oxo-2-propoxyethoxy)cyclohexyl]propan-2-yl]cyclohexyl]oxyacetate
CID 91049295
methyl 2-(5-hydroxypentoxy)acetate
CID 71343712
1-cyclobutyloxy-3-methylbutan-2-one
CID 79396416
methyl 2-(2-cyclobutylethoxy)acetate
CID 106199331
4-(2-hydroxyethoxy)-N,N-dimethylcyclohexane-1-carboxamide
CID 66730434
1-cyclobutyloxypentan-2-one
CID 62142575
methyl 2-[cyclopentyl(6-hydroxyhexyl)amino]acetate
CID 103768668

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyloxyethanol;methyl 2-cyclobutyloxyacetate?
The IUPAC name of 2-cyclobutyloxyethanol;methyl 2-cyclobutyloxyacetate (CID 161149763) is 2-cyclobutyloxyethanol;methyl 2-cyclobutyloxyacetate.
What is the SMILES notation for 2-cyclobutyloxyethanol;methyl 2-cyclobutyloxyacetate?
The canonical SMILES for 2-cyclobutyloxyethanol;methyl 2-cyclobutyloxyacetate is COC(=O)COC1CCC1.OCCOC1CCC1.
What is the InChIKey of 2-cyclobutyloxyethanol;methyl 2-cyclobutyloxyacetate?
The InChIKey is UONDWZYJPMAQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3.C6H12O2/c1-9-7(8)5-10-6-3-2-4-6;7-4-5-8-6-2-1-3-6/h6H,2-5H2,1H3;6-7H,1-5H2.
What are the key properties of 2-cyclobutyloxyethanol;methyl 2-cyclobutyloxyacetate?
2-cyclobutyloxyethanol;methyl 2-cyclobutyloxyacetate has a molecular weight of 260.33 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyloxyethanol;methyl 2-cyclobutyloxyacetate is sourced from PubChem (CID 161149763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).