1-cyclopentylethyl 2-methoxyacetate

C10H18O3 — CID 566178

IUPAC1-cyclopentylethyl 2-methoxyacetate
SMILESCOCC(=O)OC(C)C1CCCC1
InChIInChI=1S/C10H18O3/c1-8(9-5-3-4-6-9)13-10(11)7-12-2/h8-9H,3-7H2,1-2H3
InChIKeyHVXPTHLVNAUCBU-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.75
Rot. Bonds4

About 1-cyclopentylethyl 2-methoxyacetate

1-cyclopentylethyl 2-methoxyacetate (PubChem CID 566178) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-cyclopentylethyl 2-methoxyacetate.

Molecular Properties

Compound Name1-cyclopentylethyl 2-methoxyacetate
PubChem CID566178
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name1-cyclopentylethyl 2-methoxyacetate
SMILESCOCC(=O)OC(C)C1CCCC1
InChIInChI=1S/C10H18O3/c1-8(9-5-3-4-6-9)13-10(11)7-12-2/h8-9H,3-7H2,1-2H3
InChIKeyHVXPTHLVNAUCBU-UHFFFAOYSA-N
XLogP1.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentylethyl 2-methoxyacetate?
The IUPAC name of 1-cyclopentylethyl 2-methoxyacetate (CID 566178) is 1-cyclopentylethyl 2-methoxyacetate.
What is the SMILES notation for 1-cyclopentylethyl 2-methoxyacetate?
The canonical SMILES for 1-cyclopentylethyl 2-methoxyacetate is COCC(=O)OC(C)C1CCCC1.
What is the InChIKey of 1-cyclopentylethyl 2-methoxyacetate?
The InChIKey is HVXPTHLVNAUCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-8(9-5-3-4-6-9)13-10(11)7-12-2/h8-9H,3-7H2,1-2H3.
What are the key properties of 1-cyclopentylethyl 2-methoxyacetate?
1-cyclopentylethyl 2-methoxyacetate has a molecular weight of 186.25 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentylethyl 2-methoxyacetate is sourced from PubChem (CID 566178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).