decyl 4-(2-decoxyethoxy)butanoate

C26H52O4 — CID 121470374

IUPACdecyl 4-(2-decoxyethoxy)butanoate
SMILESCCCCCCCCCCOCCOCCCC(=O)OCCCCCCCCCC
InChIInChI=1S/C26H52O4/c1-3-5-7-9-11-13-15-17-21-28-24-25-29-22-19-20-26(27)30-23-18-16-14-12-10-8-6-4-2/h3-25H2,1-2H3
InChIKeyFKWJSVOUQOJRQY-UHFFFAOYSA-N
MW428.70 g/mol
LogP7.62
Rot. Bonds25

About decyl 4-(2-decoxyethoxy)butanoate

decyl 4-(2-decoxyethoxy)butanoate (PubChem CID 121470374) has the molecular formula C26H52O4 and a molecular weight of 428.70 g/mol. Its IUPAC name is decyl 4-(2-decoxyethoxy)butanoate.

Molecular Properties

Compound Namedecyl 4-(2-decoxyethoxy)butanoate
PubChem CID121470374
Molecular FormulaC26H52O4
Molecular Weight428.70 g/mol
Exact Mass428.39
IUPAC Namedecyl 4-(2-decoxyethoxy)butanoate
SMILESCCCCCCCCCCOCCOCCCC(=O)OCCCCCCCCCC
InChIInChI=1S/C26H52O4/c1-3-5-7-9-11-13-15-17-21-28-24-25-29-22-19-20-26(27)30-23-18-16-14-12-10-8-6-4-2/h3-25H2,1-2H3
InChIKeyFKWJSVOUQOJRQY-UHFFFAOYSA-N
XLogP7.62
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds25
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.70
LogP ≤ 57.62
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

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
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
butyl 4-[2-(2-octoxyethoxy)ethoxy]butanoate
CID 121469779

Frequently Asked Questions

What is the IUPAC name of decyl 4-(2-decoxyethoxy)butanoate?
The IUPAC name of decyl 4-(2-decoxyethoxy)butanoate (CID 121470374) is decyl 4-(2-decoxyethoxy)butanoate.
What is the SMILES notation for decyl 4-(2-decoxyethoxy)butanoate?
The canonical SMILES for decyl 4-(2-decoxyethoxy)butanoate is CCCCCCCCCCOCCOCCCC(=O)OCCCCCCCCCC.
What is the InChIKey of decyl 4-(2-decoxyethoxy)butanoate?
The InChIKey is FKWJSVOUQOJRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52O4/c1-3-5-7-9-11-13-15-17-21-28-24-25-29-22-19-20-26(27)30-23-18-16-14-12-10-8-6-4-2/h3-25H2,1-2H3.
What are the key properties of decyl 4-(2-decoxyethoxy)butanoate?
decyl 4-(2-decoxyethoxy)butanoate has a molecular weight of 428.70 g/mol, XLogP of 7.62, 25 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 4-(2-decoxyethoxy)butanoate is sourced from PubChem (CID 121470374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).