2-(2-butanoyloxyethoxy)ethyl pentanoate

C13H24O5 — CID 90142854

IUPAC2-(2-butanoyloxyethoxy)ethyl pentanoate
SMILESCCCCC(=O)OCCOCCOC(=O)CCC
InChIInChI=1S/C13H24O5/c1-3-5-7-13(15)18-11-9-16-8-10-17-12(14)6-4-2/h3-11H2,1-2H3
InChIKeyHUZUEXOXSCDJHI-UHFFFAOYSA-N
MW260.33 g/mol
LogP2.08
Rot. Bonds11

About 2-(2-butanoyloxyethoxy)ethyl pentanoate

2-(2-butanoyloxyethoxy)ethyl pentanoate (PubChem CID 90142854) has the molecular formula C13H24O5 and a molecular weight of 260.33 g/mol. Its IUPAC name is 2-(2-butanoyloxyethoxy)ethyl pentanoate.

Molecular Properties

Compound Name2-(2-butanoyloxyethoxy)ethyl pentanoate
PubChem CID90142854
Molecular FormulaC13H24O5
Molecular Weight260.33 g/mol
Exact Mass260.16
IUPAC Name2-(2-butanoyloxyethoxy)ethyl pentanoate
SMILESCCCCC(=O)OCCOCCOC(=O)CCC
InChIInChI=1S/C13H24O5/c1-3-5-7-13(15)18-11-9-16-8-10-17-12(14)6-4-2/h3-11H2,1-2H3
InChIKeyHUZUEXOXSCDJHI-UHFFFAOYSA-N
XLogP2.08
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-butoxyethoxy)ethyl pentanoate
CID 57063058
2-(2-dotriacontanoyloxyethoxy)ethyl dotriacontanoate
CID 102240305
2-[2-(2-decanoyloxyethoxy)ethoxy]ethyl decanoate
CID 7787
2-[2-[2-(2-pentadecanoyloxyethoxy)ethoxy]ethoxy]ethyl pentadecanoate
CID 54361642
2-(2-heptadecanoyloxyethoxy)ethyl heptadecanoate
CID 102240292
2-(2-hexoxyethoxy)ethyl decanoate
CID 139604752
2-(2-hexoxyethoxy)ethyl octadecanoate
CID 139604732
2-dodecoxyethyl octadecanoate
CID 23042460
2-pentoxyethyl hexadecanoate
CID 139604749
2-(2-pentoxyethoxy)ethyl tetradecanoate
CID 139604741
2-(2-butoxyethoxy)ethyl octadecanoate
CID 3022830
2-butoxyethyl octadecanoate;butyl octadecanoate
CID 162130096

Frequently Asked Questions

What is the IUPAC name of 2-(2-butanoyloxyethoxy)ethyl pentanoate?
The IUPAC name of 2-(2-butanoyloxyethoxy)ethyl pentanoate (CID 90142854) is 2-(2-butanoyloxyethoxy)ethyl pentanoate.
What is the SMILES notation for 2-(2-butanoyloxyethoxy)ethyl pentanoate?
The canonical SMILES for 2-(2-butanoyloxyethoxy)ethyl pentanoate is CCCCC(=O)OCCOCCOC(=O)CCC.
What is the InChIKey of 2-(2-butanoyloxyethoxy)ethyl pentanoate?
The InChIKey is HUZUEXOXSCDJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O5/c1-3-5-7-13(15)18-11-9-16-8-10-17-12(14)6-4-2/h3-11H2,1-2H3.
What are the key properties of 2-(2-butanoyloxyethoxy)ethyl pentanoate?
2-(2-butanoyloxyethoxy)ethyl pentanoate has a molecular weight of 260.33 g/mol, XLogP of 2.08, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butanoyloxyethoxy)ethyl pentanoate is sourced from PubChem (CID 90142854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).