methyl 3-[3-(3-oxobutoxy)cyclobutyl]oxypropanoate

C12H20O5 — CID 174153934

IUPACmethyl 3-[3-(3-oxobutoxy)cyclobutyl]oxypropanoate
SMILESCOC(=O)CCOC1CC(OCCC(C)=O)C1
InChIInChI=1S/C12H20O5/c1-9(13)3-5-16-10-7-11(8-10)17-6-4-12(14)15-2/h10-11H,3-8H2,1-2H3
InChIKeyGVZPGVDOXUKIDS-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.09
Rot. Bonds8

About methyl 3-[3-(3-oxobutoxy)cyclobutyl]oxypropanoate

methyl 3-[3-(3-oxobutoxy)cyclobutyl]oxypropanoate (PubChem CID 174153934) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl 3-[3-(3-oxobutoxy)cyclobutyl]oxypropanoate.

Molecular Properties

Compound Namemethyl 3-[3-(3-oxobutoxy)cyclobutyl]oxypropanoate
PubChem CID174153934
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Namemethyl 3-[3-(3-oxobutoxy)cyclobutyl]oxypropanoate
SMILESCOC(=O)CCOC1CC(OCCC(C)=O)C1
InChIInChI=1S/C12H20O5/c1-9(13)3-5-16-10-7-11(8-10)17-6-4-12(14)15-2/h10-11H,3-8H2,1-2H3
InChIKeyGVZPGVDOXUKIDS-UHFFFAOYSA-N
XLogP1.09
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(3-methylcyclobutyl)oxypropanoate
CID 170036663
methyl 3-[3-(methylaminomethyl)cyclobutyl]oxypropanoate
CID 106940433
3-[3-(2-carboxyethoxy)-2-(2-carboxyethoxymethyl)-2-[3-[3-(3-methoxy-3-oxopropoxy)cyclobutyl]oxypropanoylamino]propoxy]propanoic acid
CID 174154840
methyl 3-propanoyloxypropanoate;3-oxobutyl propanoate
CID 160585097
methyl 7-oxooctanoate
CID 539108
methyl 4-oxopentanoate;propan-2-one
CID 102601184
methane;methyl 4-oxopentanoate
CID 157451764
methyl 3-(1-propanoylpiperidin-4-yl)oxypropanoate
CID 143455323
2-methylpropyl 3-[2-[3-[3-(3-methoxy-3-oxopropoxy)cyclobutyl]oxypropanoylamino]-3-[3-(2-methylpropoxy)-3-oxopropoxy]-2-[[3-(2-methylpropoxy)-3-oxopropoxy]methyl]propoxy]propanoate
CID 174154839
methyl 3-[(3S)-1-propan-2-ylpyrrolidin-3-yl]oxypropanoate
CID 162750408
4-(oxolan-3-yloxy)butan-2-one
CID 63559452
methyl octanoate;octan-2-one
CID 88642743

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(3-oxobutoxy)cyclobutyl]oxypropanoate?
The IUPAC name of methyl 3-[3-(3-oxobutoxy)cyclobutyl]oxypropanoate (CID 174153934) is methyl 3-[3-(3-oxobutoxy)cyclobutyl]oxypropanoate.
What is the SMILES notation for methyl 3-[3-(3-oxobutoxy)cyclobutyl]oxypropanoate?
The canonical SMILES for methyl 3-[3-(3-oxobutoxy)cyclobutyl]oxypropanoate is COC(=O)CCOC1CC(OCCC(C)=O)C1.
What is the InChIKey of methyl 3-[3-(3-oxobutoxy)cyclobutyl]oxypropanoate?
The InChIKey is GVZPGVDOXUKIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O5/c1-9(13)3-5-16-10-7-11(8-10)17-6-4-12(14)15-2/h10-11H,3-8H2,1-2H3.
What are the key properties of methyl 3-[3-(3-oxobutoxy)cyclobutyl]oxypropanoate?
methyl 3-[3-(3-oxobutoxy)cyclobutyl]oxypropanoate has a molecular weight of 244.29 g/mol, XLogP of 1.09, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(3-oxobutoxy)cyclobutyl]oxypropanoate is sourced from PubChem (CID 174153934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).