methyl 3-(2-cyclobutylethoxy)propanoate

C10H18O3 — CID 106199365

IUPACmethyl 3-(2-cyclobutylethoxy)propanoate
SMILESCOC(=O)CCOCCC1CCC1
InChIInChI=1S/C10H18O3/c1-12-10(11)6-8-13-7-5-9-3-2-4-9/h9H,2-8H2,1H3
InChIKeyKAEXLVYKBYKSIM-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.76
Rot. Bonds6

About methyl 3-(2-cyclobutylethoxy)propanoate

methyl 3-(2-cyclobutylethoxy)propanoate (PubChem CID 106199365) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is methyl 3-(2-cyclobutylethoxy)propanoate.

Molecular Properties

Compound Namemethyl 3-(2-cyclobutylethoxy)propanoate
PubChem CID106199365
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Namemethyl 3-(2-cyclobutylethoxy)propanoate
SMILESCOC(=O)CCOCCC1CCC1
InChIInChI=1S/C10H18O3/c1-12-10(11)6-8-13-7-5-9-3-2-4-9/h9H,2-8H2,1H3
InChIKeyKAEXLVYKBYKSIM-UHFFFAOYSA-N
XLogP1.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(2-cyclopropylethoxy)propanoate
CID 106199265
methyl 2-(2-cyclobutylethoxy)acetate
CID 106199331
methyl 3-(2-piperidin-2-ylethoxy)propanoate;hydrochloride
CID 56830628
methyl 4-(2-pyrrolidin-3-ylethoxy)butanoate
CID 106940991
methyl 3-[3-(3-methoxy-3-oxopropoxy)-2-[(3-methoxy-3-oxopropoxy)methyl]-2-(propanoylamino)propoxy]propanoate
CID 134401167
2-cyclopentylethyl methyl carbonate
CID 66771150
4-(2-cyclobutylethoxy)-2-methyl-2-(methylamino)butanoic acid
CID 106204533
3-(2-cyclobutylethoxy)-2-(cyclopropylamino)-2-methylpropanoic acid
CID 106204568
methyl 4-(3-cyclopentylpropylamino)butanoate
CID 106004262
bis(2-cyclopentylethyl) propanedioate
CID 67140627
3-[2-[2-[2-[2-[2-[2-[2-[2-(3-methoxy-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 172894169
tert-butyl 3-[(3-methoxy-3-oxopropoxy)methyl]piperidine-1-carboxylate
CID 83211000

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-cyclobutylethoxy)propanoate?
The IUPAC name of methyl 3-(2-cyclobutylethoxy)propanoate (CID 106199365) is methyl 3-(2-cyclobutylethoxy)propanoate.
What is the SMILES notation for methyl 3-(2-cyclobutylethoxy)propanoate?
The canonical SMILES for methyl 3-(2-cyclobutylethoxy)propanoate is COC(=O)CCOCCC1CCC1.
What is the InChIKey of methyl 3-(2-cyclobutylethoxy)propanoate?
The InChIKey is KAEXLVYKBYKSIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-12-10(11)6-8-13-7-5-9-3-2-4-9/h9H,2-8H2,1H3.
What are the key properties of methyl 3-(2-cyclobutylethoxy)propanoate?
methyl 3-(2-cyclobutylethoxy)propanoate has a molecular weight of 186.25 g/mol, XLogP of 1.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-cyclobutylethoxy)propanoate is sourced from PubChem (CID 106199365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).