2-(2-butoxyethoxy)ethyl pentanoate

C13H26O4 — CID 57063058

IUPAC2-(2-butoxyethoxy)ethyl pentanoate
SMILESCCCCOCCOCCOC(=O)CCCC
InChIInChI=1S/C13H26O4/c1-3-5-7-13(14)17-12-11-16-10-9-15-8-6-4-2/h3-12H2,1-2H3
InChIKeyWPTLFEHEDGVMPA-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.55
Rot. Bonds12

About 2-(2-butoxyethoxy)ethyl pentanoate

2-(2-butoxyethoxy)ethyl pentanoate (PubChem CID 57063058) has the molecular formula C13H26O4 and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-(2-butoxyethoxy)ethyl pentanoate.

Molecular Properties

Compound Name2-(2-butoxyethoxy)ethyl pentanoate
PubChem CID57063058
Molecular FormulaC13H26O4
Molecular Weight246.35 g/mol
Exact Mass246.18
IUPAC Name2-(2-butoxyethoxy)ethyl pentanoate
SMILESCCCCOCCOCCOC(=O)CCCC
InChIInChI=1S/C13H26O4/c1-3-5-7-13(14)17-12-11-16-10-9-15-8-6-4-2/h3-12H2,1-2H3
InChIKeyWPTLFEHEDGVMPA-UHFFFAOYSA-N
XLogP2.55
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-butoxyethoxy)ethyl octadecanoate
CID 3022830
2-(2-butanoyloxyethoxy)ethyl pentanoate
CID 90142854
2-butoxyethyl octadecanoate;butyl octadecanoate
CID 162130096
6-O-(2-butoxyethyl) 1-O-hexyl hexanedioate
CID 91692824
2-(2-hexoxyethoxy)ethyl decanoate
CID 139604752
2-(2-hexoxyethoxy)ethyl octadecanoate
CID 139604732
2-pentoxyethyl hexadecanoate
CID 139604749
2-(2-pentoxyethoxy)ethyl tetradecanoate
CID 139604741
2-dodecoxyethyl octadecanoate
CID 23042460
2-(2-dotriacontanoyloxyethoxy)ethyl dotriacontanoate
CID 102240305
2-[2-(2-decanoyloxyethoxy)ethoxy]ethyl decanoate
CID 7787
3-[3-[3-(3-butoxypropoxy)propoxy]propoxy]propyl 4-[4-[3-[3-[3-(3-butoxypropoxy)propoxy]propoxy]propoxy]-4-oxobutoxy]butanoate
CID 139796293

Frequently Asked Questions

What is the IUPAC name of 2-(2-butoxyethoxy)ethyl pentanoate?
The IUPAC name of 2-(2-butoxyethoxy)ethyl pentanoate (CID 57063058) is 2-(2-butoxyethoxy)ethyl pentanoate.
What is the SMILES notation for 2-(2-butoxyethoxy)ethyl pentanoate?
The canonical SMILES for 2-(2-butoxyethoxy)ethyl pentanoate is CCCCOCCOCCOC(=O)CCCC.
What is the InChIKey of 2-(2-butoxyethoxy)ethyl pentanoate?
The InChIKey is WPTLFEHEDGVMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O4/c1-3-5-7-13(14)17-12-11-16-10-9-15-8-6-4-2/h3-12H2,1-2H3.
What are the key properties of 2-(2-butoxyethoxy)ethyl pentanoate?
2-(2-butoxyethoxy)ethyl pentanoate has a molecular weight of 246.35 g/mol, XLogP of 2.55, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butoxyethoxy)ethyl pentanoate is sourced from PubChem (CID 57063058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).