EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID20233616

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID20233616


InChI Key	YQHRLGWKUFGMKU-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCCCCCCCCCCCCCC
InChI	InChI=1S/C36H72O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-36(37)41-35-34-40-33-32-39-31-30-38-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h3-35H2,1-2H3

InChI Key

YQHRLGWKUFGMKU-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCC(=O)OCCOCCOCCOCCCCCCCCCCCCCC

InChI

InChI=1S/C36H72O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-36(37)41-35-34-40-33-32-39-31-30-38-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h3-35H2,1-2H3

Property Name	Value
Molecular Formula	C36H72O5
Molecular Weight	584.54
AlogP	10.76
Hydrogen Bond Acceptor	5.0
Number of Rotational Bond	36.0
Polar Surface Area	53.99
Heavy Atoms	41.0

Property Name

Value

Molecular Formula

C36H72O5

Molecular Weight

584.54

AlogP

10.76

Hydrogen Bond Acceptor

5.0

Number of Rotational Bond

36.0

Polar Surface Area

53.99

Heavy Atoms

41.0

Resources	Reference
CAS NUMBER	84605-14-1
NORMAN SUSDAT
PubChem	3020008
ChemSpider	2287027.0

Resources

Reference

CAS NUMBER

84605-14-1

NORMAN SUSDAT

PubChem

3020008

ChemSpider

2287027.0

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 PALMITATE

Structure

Physicochemical Descriptors

Cross References