methyl 4-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]butanoate

C16H32O6 — CID 121470261

IUPACmethyl 4-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]butanoate
SMILESCCCCCOCCOCCOCCOCCCC(=O)OC
InChIInChI=1S/C16H32O6/c1-3-4-5-8-19-10-12-21-14-15-22-13-11-20-9-6-7-16(17)18-2/h3-15H2,1-2H3
InChIKeyZUNIYFIUEKKEKQ-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.20
Rot. Bonds17

About methyl 4-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]butanoate

methyl 4-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]butanoate (PubChem CID 121470261) has the molecular formula C16H32O6 and a molecular weight of 320.43 g/mol. Its IUPAC name is methyl 4-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]butanoate.

Molecular Properties

Compound Namemethyl 4-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]butanoate
PubChem CID121470261
Molecular FormulaC16H32O6
Molecular Weight320.43 g/mol
Exact Mass320.22
IUPAC Namemethyl 4-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]butanoate
SMILESCCCCCOCCOCCOCCOCCCC(=O)OC
InChIInChI=1S/C16H32O6/c1-3-4-5-8-19-10-12-21-14-15-22-13-11-20-9-6-7-16(17)18-2/h3-15H2,1-2H3
InChIKeyZUNIYFIUEKKEKQ-UHFFFAOYSA-N
XLogP2.20
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.20
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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Related Compounds

methyl 4-[2-[2-(2-undecoxyethoxy)ethoxy]ethoxy]butanoate
CID 121469998
methyl 4-heptoxybutanoate
CID 43378175
methyl 3-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]propanoate
CID 139594409
pentyl 4-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]butanoate
CID 121469616
methyl 6-propoxyhexanoate
CID 68704998
hexadecyl 4-(2-decoxyethoxy)butanoate
CID 121470350
octadecyl 4-[2-(2-undecoxyethoxy)ethoxy]butanoate
CID 121470527
dodecyl 4-(2-decoxyethoxy)butanoate
CID 121469874
hexyl 4-[2-(2-decoxyethoxy)ethoxy]butanoate
CID 121469809
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

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]butanoate?
The IUPAC name of methyl 4-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]butanoate (CID 121470261) is methyl 4-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]butanoate.
What is the SMILES notation for methyl 4-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]butanoate?
The canonical SMILES for methyl 4-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]butanoate is CCCCCOCCOCCOCCOCCCC(=O)OC.
What is the InChIKey of methyl 4-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]butanoate?
The InChIKey is ZUNIYFIUEKKEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O6/c1-3-4-5-8-19-10-12-21-14-15-22-13-11-20-9-6-7-16(17)18-2/h3-15H2,1-2H3.
What are the key properties of methyl 4-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]butanoate?
methyl 4-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]butanoate has a molecular weight of 320.43 g/mol, XLogP of 2.20, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]butanoate is sourced from PubChem (CID 121470261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).