pentyl 4-[2-(2-ethoxyethoxy)ethoxy]butanoate

C15H30O5 — CID 121470119

IUPACpentyl 4-[2-(2-ethoxyethoxy)ethoxy]butanoate
SMILESCCCCCOC(=O)CCCOCCOCCOCC
InChIInChI=1S/C15H30O5/c1-3-5-6-10-20-15(16)8-7-9-18-13-14-19-12-11-17-4-2/h3-14H2,1-2H3
InChIKeyROZJUECGQWPREW-UHFFFAOYSA-N
MW290.40 g/mol
LogP2.57
Rot. Bonds15

About pentyl 4-[2-(2-ethoxyethoxy)ethoxy]butanoate

pentyl 4-[2-(2-ethoxyethoxy)ethoxy]butanoate (PubChem CID 121470119) has the molecular formula C15H30O5 and a molecular weight of 290.40 g/mol. Its IUPAC name is pentyl 4-[2-(2-ethoxyethoxy)ethoxy]butanoate.

Molecular Properties

Compound Namepentyl 4-[2-(2-ethoxyethoxy)ethoxy]butanoate
PubChem CID121470119
Molecular FormulaC15H30O5
Molecular Weight290.40 g/mol
Exact Mass290.21
IUPAC Namepentyl 4-[2-(2-ethoxyethoxy)ethoxy]butanoate
SMILESCCCCCOC(=O)CCCOCCOCCOCC
InChIInChI=1S/C15H30O5/c1-3-5-6-10-20-15(16)8-7-9-18-13-14-19-12-11-17-4-2/h3-14H2,1-2H3
InChIKeyROZJUECGQWPREW-UHFFFAOYSA-N
XLogP2.57
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 52.57
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

octyl 4-ethoxybutanoate
CID 134561601
pentyl 4-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]butanoate
CID 121469616
dodecyl 4-(2-decoxyethoxy)butanoate
CID 121469874
hexyl 4-[2-(2-decoxyethoxy)ethoxy]butanoate
CID 121469809
hexadecyl 4-(2-decoxyethoxy)butanoate
CID 121470350
octadecyl 4-[2-(2-undecoxyethoxy)ethoxy]butanoate
CID 121470527
hexyl 4-[2-[2-(2-heptoxyethoxy)ethoxy]ethoxy]butanoate
CID 121470252
nonyl 4-(2-pentoxyethoxy)butanoate
CID 121470464
octadecyl 4-(2-heptoxyethoxy)butanoate
CID 121469384
decyl 4-(2-decoxyethoxy)butanoate
CID 121470374
hexadecyl 4-(2-dodecoxyethoxy)butanoate
CID 121469473
tetradecyl 4-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]butanoate
CID 121470338

Frequently Asked Questions

What is the IUPAC name of pentyl 4-[2-(2-ethoxyethoxy)ethoxy]butanoate?
The IUPAC name of pentyl 4-[2-(2-ethoxyethoxy)ethoxy]butanoate (CID 121470119) is pentyl 4-[2-(2-ethoxyethoxy)ethoxy]butanoate.
What is the SMILES notation for pentyl 4-[2-(2-ethoxyethoxy)ethoxy]butanoate?
The canonical SMILES for pentyl 4-[2-(2-ethoxyethoxy)ethoxy]butanoate is CCCCCOC(=O)CCCOCCOCCOCC.
What is the InChIKey of pentyl 4-[2-(2-ethoxyethoxy)ethoxy]butanoate?
The InChIKey is ROZJUECGQWPREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O5/c1-3-5-6-10-20-15(16)8-7-9-18-13-14-19-12-11-17-4-2/h3-14H2,1-2H3.
What are the key properties of pentyl 4-[2-(2-ethoxyethoxy)ethoxy]butanoate?
pentyl 4-[2-(2-ethoxyethoxy)ethoxy]butanoate has a molecular weight of 290.40 g/mol, XLogP of 2.57, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 4-[2-(2-ethoxyethoxy)ethoxy]butanoate is sourced from PubChem (CID 121470119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).