methyl 3-(3-methylcyclobutyl)oxypropanoate

C9H16O3 — CID 170036663

IUPACmethyl 3-(3-methylcyclobutyl)oxypropanoate
SMILESCOC(=O)CCOC1CC(C)C1
InChIInChI=1S/C9H16O3/c1-7-5-8(6-7)12-4-3-9(10)11-2/h7-8H,3-6H2,1-2H3
InChIKeyXNELVFMPHGUHHN-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.36
Rot. Bonds4

About methyl 3-(3-methylcyclobutyl)oxypropanoate

methyl 3-(3-methylcyclobutyl)oxypropanoate (PubChem CID 170036663) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is methyl 3-(3-methylcyclobutyl)oxypropanoate.

Molecular Properties

Compound Namemethyl 3-(3-methylcyclobutyl)oxypropanoate
PubChem CID170036663
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Namemethyl 3-(3-methylcyclobutyl)oxypropanoate
SMILESCOC(=O)CCOC1CC(C)C1
InChIInChI=1S/C9H16O3/c1-7-5-8(6-7)12-4-3-9(10)11-2/h7-8H,3-6H2,1-2H3
InChIKeyXNELVFMPHGUHHN-UHFFFAOYSA-N
XLogP1.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[3-(3-oxobutoxy)cyclobutyl]oxypropanoate
CID 174153934
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-(1-propanoylpiperidin-4-yl)oxypropanoate
CID 143455323
methyl 3-[(3S)-1-propan-2-ylpyrrolidin-3-yl]oxypropanoate
CID 162750408
5-(3-methylcyclobutyl)oxypentan-1-ol
CID 134489229
N-(1,3-dihydroxypropan-2-yl)-3-[2-(3-methylcyclobutyl)oxyethoxy]propanamide
CID 170420294
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
3-(3,5-dimethylcyclohexyl)oxypropanal
CID 64729407
dimethyl dotriacontanedioate
CID 14325565
bis(dimethyl decanedioate);dimethyl hexanedioate
CID 90703426
dimethyl hexanedioate;stannane
CID 173290076

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-methylcyclobutyl)oxypropanoate?
The IUPAC name of methyl 3-(3-methylcyclobutyl)oxypropanoate (CID 170036663) is methyl 3-(3-methylcyclobutyl)oxypropanoate.
What is the SMILES notation for methyl 3-(3-methylcyclobutyl)oxypropanoate?
The canonical SMILES for methyl 3-(3-methylcyclobutyl)oxypropanoate is COC(=O)CCOC1CC(C)C1.
What is the InChIKey of methyl 3-(3-methylcyclobutyl)oxypropanoate?
The InChIKey is XNELVFMPHGUHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-7-5-8(6-7)12-4-3-9(10)11-2/h7-8H,3-6H2,1-2H3.
What are the key properties of methyl 3-(3-methylcyclobutyl)oxypropanoate?
methyl 3-(3-methylcyclobutyl)oxypropanoate has a molecular weight of 172.22 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-methylcyclobutyl)oxypropanoate is sourced from PubChem (CID 170036663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).