EcoDrugPlus


Keyword(s):	Food Contact Chemicals ; Plastic additives ; Indoor Environment Substances ; Drinking Water Chemicals
Molecule Category	Free-form
UNII	PQB8MJD4RB
EPA CompTox	DTXSID1060134

Keyword(s):

Food Contact Chemicals ; Plastic additives ; Indoor Environment Substances ; Drinking Water Chemicals

Molecule Category

Free-form

UNII

PQB8MJD4RB

EPA CompTox

DTXSID1060134


InChI Key	VKOBVWXKNCXXDE-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCCCCCCCCC(=O)O
InChI	InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)

InChI Key

VKOBVWXKNCXXDE-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)

Property Name	Value
Molecular Formula	C20H40O2
Molecular Weight	312.3
AlogP	7.11
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	18.0
Polar Surface Area	37.3
Heavy Atoms	22.0

Property Name

Value

Molecular Formula

C20H40O2

Molecular Weight

312.3

AlogP

7.11

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

18.0

Polar Surface Area

37.3

Heavy Atoms

22.0

Resources	Reference
CAS NUMBER	506-30-9
NORMAN SUSDAT
FDA SRS	PQB8MJD4RB
PubChem	10467
ChemSpider	10035.0

Resources

Reference

CAS NUMBER

506-30-9

NORMAN SUSDAT

FDA SRS

PQB8MJD4RB

PubChem

10467

ChemSpider

10035.0

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...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

EICOSANOIC ACID

Structure

Physicochemical Descriptors

Cross References