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

C20H40O6 — CID 121469616

IUPACpentyl 4-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]butanoate
SMILESCCCCCOCCOCCOCCOCCCC(=O)OCCCCC
InChIInChI=1S/C20H40O6/c1-3-5-7-11-22-14-16-24-18-19-25-17-15-23-12-9-10-20(21)26-13-8-6-4-2/h3-19H2,1-2H3
InChIKeyZIEBCROQQSDFIO-UHFFFAOYSA-N
MW376.53 g/mol
LogP3.76
Rot. Bonds21

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

pentyl 4-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]butanoate (PubChem CID 121469616) has the molecular formula C20H40O6 and a molecular weight of 376.53 g/mol. Its IUPAC name is pentyl 4-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]butanoate.

Molecular Properties

Compound Namepentyl 4-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]butanoate
PubChem CID121469616
Molecular FormulaC20H40O6
Molecular Weight376.53 g/mol
Exact Mass376.28
IUPAC Namepentyl 4-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]butanoate
SMILESCCCCCOCCOCCOCCOCCCC(=O)OCCCCC
InChIInChI=1S/C20H40O6/c1-3-5-7-11-22-14-16-24-18-19-25-17-15-23-12-9-10-20(21)26-13-8-6-4-2/h3-19H2,1-2H3
InChIKeyZIEBCROQQSDFIO-UHFFFAOYSA-N
XLogP3.76
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 53.76
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

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
hexyl 4-[2-[2-(2-decoxyethoxy)ethoxy]ethoxy]butanoate
CID 121469353
heptyl 4-[2-[2-(2-undecoxyethoxy)ethoxy]ethoxy]butanoate
CID 121469588

Frequently Asked Questions

What is the IUPAC name of pentyl 4-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]butanoate?
The IUPAC name of pentyl 4-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]butanoate (CID 121469616) is pentyl 4-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]butanoate.
What is the SMILES notation for pentyl 4-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]butanoate?
The canonical SMILES for pentyl 4-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]butanoate is CCCCCOCCOCCOCCOCCCC(=O)OCCCCC.
What is the InChIKey of pentyl 4-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]butanoate?
The InChIKey is ZIEBCROQQSDFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O6/c1-3-5-7-11-22-14-16-24-18-19-25-17-15-23-12-9-10-20(21)26-13-8-6-4-2/h3-19H2,1-2H3.
What are the key properties of pentyl 4-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]butanoate?
pentyl 4-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]butanoate has a molecular weight of 376.53 g/mol, XLogP of 3.76, 21 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 4-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]butanoate is sourced from PubChem (CID 121469616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).