2-[2-(2-pentanoyloxyethoxy)ethoxy]ethyl cyclopropanecarboxylate

C15H26O6 — CID 66827219

IUPAC2-[2-(2-pentanoyloxyethoxy)ethoxy]ethyl cyclopropanecarboxylate
SMILESCCCCC(=O)OCCOCCOCCOC(=O)C1CC1
InChIInChI=1S/C15H26O6/c1-2-3-4-14(16)20-11-9-18-7-8-19-10-12-21-15(17)13-5-6-13/h13H,2-12H2,1H3
InChIKeyBAONGJPOQGPCMD-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.71
Rot. Bonds13

About 2-[2-(2-pentanoyloxyethoxy)ethoxy]ethyl cyclopropanecarboxylate

2-[2-(2-pentanoyloxyethoxy)ethoxy]ethyl cyclopropanecarboxylate (PubChem CID 66827219) has the molecular formula C15H26O6 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-[2-(2-pentanoyloxyethoxy)ethoxy]ethyl cyclopropanecarboxylate.

Molecular Properties

Compound Name2-[2-(2-pentanoyloxyethoxy)ethoxy]ethyl cyclopropanecarboxylate
PubChem CID66827219
Molecular FormulaC15H26O6
Molecular Weight302.37 g/mol
Exact Mass302.17
IUPAC Name2-[2-(2-pentanoyloxyethoxy)ethoxy]ethyl cyclopropanecarboxylate
SMILESCCCCC(=O)OCCOCCOCCOC(=O)C1CC1
InChIInChI=1S/C15H26O6/c1-2-3-4-14(16)20-11-9-18-7-8-19-10-12-21-15(17)13-5-6-13/h13H,2-12H2,1H3
InChIKeyBAONGJPOQGPCMD-UHFFFAOYSA-N
XLogP1.71
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-pentanoyloxyethoxy)ethoxy]ethyl cyclopropanecarboxylate?
The IUPAC name of 2-[2-(2-pentanoyloxyethoxy)ethoxy]ethyl cyclopropanecarboxylate (CID 66827219) is 2-[2-(2-pentanoyloxyethoxy)ethoxy]ethyl cyclopropanecarboxylate.
What is the SMILES notation for 2-[2-(2-pentanoyloxyethoxy)ethoxy]ethyl cyclopropanecarboxylate?
The canonical SMILES for 2-[2-(2-pentanoyloxyethoxy)ethoxy]ethyl cyclopropanecarboxylate is CCCCC(=O)OCCOCCOCCOC(=O)C1CC1.
What is the InChIKey of 2-[2-(2-pentanoyloxyethoxy)ethoxy]ethyl cyclopropanecarboxylate?
The InChIKey is BAONGJPOQGPCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O6/c1-2-3-4-14(16)20-11-9-18-7-8-19-10-12-21-15(17)13-5-6-13/h13H,2-12H2,1H3.
What are the key properties of 2-[2-(2-pentanoyloxyethoxy)ethoxy]ethyl cyclopropanecarboxylate?
2-[2-(2-pentanoyloxyethoxy)ethoxy]ethyl cyclopropanecarboxylate has a molecular weight of 302.37 g/mol, XLogP of 1.71, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-pentanoyloxyethoxy)ethoxy]ethyl cyclopropanecarboxylate is sourced from PubChem (CID 66827219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).