methyl 2-(2-cyclobutylethoxy)acetate

C9H16O3 — CID 106199331

IUPACmethyl 2-(2-cyclobutylethoxy)acetate
SMILESCOC(=O)COCCC1CCC1
InChIInChI=1S/C9H16O3/c1-11-9(10)7-12-6-5-8-3-2-4-8/h8H,2-7H2,1H3
InChIKeyRLJLIURFIAFCLO-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.37
Rot. Bonds5

About methyl 2-(2-cyclobutylethoxy)acetate

methyl 2-(2-cyclobutylethoxy)acetate (PubChem CID 106199331) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is methyl 2-(2-cyclobutylethoxy)acetate.

Molecular Properties

Compound Namemethyl 2-(2-cyclobutylethoxy)acetate
PubChem CID106199331
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Namemethyl 2-(2-cyclobutylethoxy)acetate
SMILESCOC(=O)COCCC1CCC1
InChIInChI=1S/C9H16O3/c1-11-9(10)7-12-6-5-8-3-2-4-8/h8H,2-7H2,1H3
InChIKeyRLJLIURFIAFCLO-UHFFFAOYSA-N
XLogP1.37
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.37
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

Oxalic acid, 2-ethylhexyl hexyl ester
CID 6420725
Methyl 2-hexoxyacetate
CID 325389
Oxalic acid, 2-ethylhexyl isobutyl ester
CID 6420766
Ethyl 2-hexoxyacetate
CID 11106108
Diglycolic acid, hexyl 2-methylbutyl ester
CID 91691613
Diglycolic acid, 2-ethylbutyl pentyl ester
CID 91691693
Diglycolic acid, 2-ethylbutyl propyl ester
CID 91691695
Diglycolic acid, 2-ethylbutyl isobutyl ester
CID 91693249
Diglycolic acid, 2-methylbutyl pentyl ester
CID 91695421
Diglycolic acid, 3-methylbutyl pentyl ester
CID 91695422
Diglycolic acid, hexyl 3-methylbutyl ester
CID 91695786
Diglycolic acid, hexyl 3-methylpent-2-yl ester
CID 91698559

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-cyclobutylethoxy)acetate?
The IUPAC name of methyl 2-(2-cyclobutylethoxy)acetate (CID 106199331) is methyl 2-(2-cyclobutylethoxy)acetate.
What is the SMILES notation for methyl 2-(2-cyclobutylethoxy)acetate?
The canonical SMILES for methyl 2-(2-cyclobutylethoxy)acetate is COC(=O)COCCC1CCC1.
What is the InChIKey of methyl 2-(2-cyclobutylethoxy)acetate?
The InChIKey is RLJLIURFIAFCLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-11-9(10)7-12-6-5-8-3-2-4-8/h8H,2-7H2,1H3.
What are the key properties of methyl 2-(2-cyclobutylethoxy)acetate?
methyl 2-(2-cyclobutylethoxy)acetate has a molecular weight of 172.22 g/mol, XLogP of 1.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-cyclobutylethoxy)acetate is sourced from PubChem (CID 106199331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).