EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID60233615

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID60233615


InChI Key	LLMYKCFFGJIPLB-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCCCOCCOCCOCCOC(=O)CCCCCCCCCCC
InChI	InChI=1S/C32H64O5/c1-3-5-7-9-11-13-14-15-17-19-21-23-25-34-26-27-35-28-29-36-30-31-37-32(33)24-22-20-18-16-12-10-8-6-4-2/h3-31H2,1-2H3

InChI Key

LLMYKCFFGJIPLB-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCOCCOCCOCCOC(=O)CCCCCCCCCCC

InChI

InChI=1S/C32H64O5/c1-3-5-7-9-11-13-14-15-17-19-21-23-25-34-26-27-35-28-29-36-30-31-37-32(33)24-22-20-18-16-12-10-8-6-4-2/h3-31H2,1-2H3

Property Name	Value
Molecular Formula	C32H64O5
Molecular Weight	528.48
AlogP	9.2
Hydrogen Bond Acceptor	5.0
Number of Rotational Bond	32.0
Polar Surface Area	53.99
Heavy Atoms	37.0

Property Name

Value

Molecular Formula

C32H64O5

Molecular Weight

528.48

AlogP

9.2

Hydrogen Bond Acceptor

5.0

Number of Rotational Bond

32.0

Polar Surface Area

53.99

Heavy Atoms

37.0

Resources	Reference
CAS NUMBER	84605-13-0
NORMAN SUSDAT
PubChem	3020007
ChemSpider	2287026.0

Resources

Reference

CAS NUMBER

84605-13-0

NORMAN SUSDAT

PubChem

3020007

ChemSpider

2287026.0

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

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Last update: Monday, 3 November 2025

2-(2-(2-(TETRADECYLOXY)ETHOXY)ETHOXY)ETHYL LAURATE

Structure

Physicochemical Descriptors

Cross References