tetradecyl 4-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]butanoate

C36H72O6 — CID 121470338

IUPACtetradecyl 4-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]butanoate
SMILESCCCCCCCCCCCCCCOC(=O)CCCOCCOCCOCCOCCCCCCCCCCCC
InChIInChI=1S/C36H72O6/c1-3-5-7-9-11-13-15-16-18-20-22-24-29-42-36(37)26-25-28-39-31-33-41-35-34-40-32-30-38-27-23-21-19-17-14-12-10-8-6-4-2/h3-35H2,1-2H3
InChIKeyLQBGPWHCFSVBBF-UHFFFAOYSA-N
MW600.97 g/mol
LogP10.00
Rot. Bonds37

About tetradecyl 4-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]butanoate

tetradecyl 4-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]butanoate (PubChem CID 121470338) has the molecular formula C36H72O6 and a molecular weight of 600.97 g/mol. Its IUPAC name is tetradecyl 4-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]butanoate.

Molecular Properties

Compound Nametetradecyl 4-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]butanoate
PubChem CID121470338
Molecular FormulaC36H72O6
Molecular Weight600.97 g/mol
Exact Mass600.53
IUPAC Nametetradecyl 4-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]butanoate
SMILESCCCCCCCCCCCCCCOC(=O)CCCOCCOCCOCCOCCCCCCCCCCCC
InChIInChI=1S/C36H72O6/c1-3-5-7-9-11-13-15-16-18-20-22-24-29-42-36(37)26-25-28-39-31-33-41-35-34-40-32-30-38-27-23-21-19-17-14-12-10-8-6-4-2/h3-35H2,1-2H3
InChIKeyLQBGPWHCFSVBBF-UHFFFAOYSA-N
XLogP10.00
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds37
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.97
LogP ≤ 510.00
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
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 tetradecyl 4-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]butanoate?
The IUPAC name of tetradecyl 4-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]butanoate (CID 121470338) is tetradecyl 4-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]butanoate.
What is the SMILES notation for tetradecyl 4-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]butanoate?
The canonical SMILES for tetradecyl 4-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]butanoate is CCCCCCCCCCCCCCOC(=O)CCCOCCOCCOCCOCCCCCCCCCCCC.
What is the InChIKey of tetradecyl 4-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]butanoate?
The InChIKey is LQBGPWHCFSVBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H72O6/c1-3-5-7-9-11-13-15-16-18-20-22-24-29-42-36(37)26-25-28-39-31-33-41-35-34-40-32-30-38-27-23-21-19-17-14-12-10-8-6-4-2/h3-35H2,1-2H3.
What are the key properties of tetradecyl 4-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]butanoate?
tetradecyl 4-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]butanoate has a molecular weight of 600.97 g/mol, XLogP of 10.00, 37 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecyl 4-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]butanoate is sourced from PubChem (CID 121470338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).