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

C15H30O4 — CID 121470032

IUPACpentyl 4-[2-(2-methylpropoxy)ethoxy]butanoate
SMILESCCCCCOC(=O)CCCOCCOCC(C)C
InChIInChI=1S/C15H30O4/c1-4-5-6-10-19-15(16)8-7-9-17-11-12-18-13-14(2)3/h14H,4-13H2,1-3H3
InChIKeyJYXDURSZCIVGBI-UHFFFAOYSA-N
MW274.40 g/mol
LogP3.19
Rot. Bonds13

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

pentyl 4-[2-(2-methylpropoxy)ethoxy]butanoate (PubChem CID 121470032) has the molecular formula C15H30O4 and a molecular weight of 274.40 g/mol. Its IUPAC name is pentyl 4-[2-(2-methylpropoxy)ethoxy]butanoate.

Molecular Properties

Compound Namepentyl 4-[2-(2-methylpropoxy)ethoxy]butanoate
PubChem CID121470032
Molecular FormulaC15H30O4
Molecular Weight274.40 g/mol
Exact Mass274.21
IUPAC Namepentyl 4-[2-(2-methylpropoxy)ethoxy]butanoate
SMILESCCCCCOC(=O)CCCOCCOCC(C)C
InChIInChI=1S/C15H30O4/c1-4-5-6-10-19-15(16)8-7-9-17-11-12-18-13-14(2)3/h14H,4-13H2,1-3H3
InChIKeyJYXDURSZCIVGBI-UHFFFAOYSA-N
XLogP3.19
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 53.19
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

nonyl 4-[2-[2-(2-methylpropoxy)ethoxy]ethoxy]butanoate
CID 121469477
2-methylpropyl 4-(2-octoxyethoxy)butanoate
CID 121470140
2-methylpropyl 4-[2-[2-(2-heptoxyethoxy)ethoxy]ethoxy]butanoate
CID 121470454
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

Frequently Asked Questions

What is the IUPAC name of pentyl 4-[2-(2-methylpropoxy)ethoxy]butanoate?
The IUPAC name of pentyl 4-[2-(2-methylpropoxy)ethoxy]butanoate (CID 121470032) is pentyl 4-[2-(2-methylpropoxy)ethoxy]butanoate.
What is the SMILES notation for pentyl 4-[2-(2-methylpropoxy)ethoxy]butanoate?
The canonical SMILES for pentyl 4-[2-(2-methylpropoxy)ethoxy]butanoate is CCCCCOC(=O)CCCOCCOCC(C)C.
What is the InChIKey of pentyl 4-[2-(2-methylpropoxy)ethoxy]butanoate?
The InChIKey is JYXDURSZCIVGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O4/c1-4-5-6-10-19-15(16)8-7-9-17-11-12-18-13-14(2)3/h14H,4-13H2,1-3H3.
What are the key properties of pentyl 4-[2-(2-methylpropoxy)ethoxy]butanoate?
pentyl 4-[2-(2-methylpropoxy)ethoxy]butanoate has a molecular weight of 274.40 g/mol, XLogP of 3.19, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 4-[2-(2-methylpropoxy)ethoxy]butanoate is sourced from PubChem (CID 121470032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).