EcoDrugPlus


Keyword(s):	Indoor Environment Substances
Molecule Category	Free-form
UNII	625736WPN1
EPA CompTox	DTXSID40883778

Keyword(s):

Indoor Environment Substances

Molecule Category

Free-form

UNII

625736WPN1

EPA CompTox

DTXSID40883778


InChI Key	QYDYPVFESGNLHU-ZHACJKMWSA-N
Smiles	CCCCCCCC/C=C/CCCCCCCC(=O)OC
InChI	InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3/b11-10+

InChI Key

QYDYPVFESGNLHU-ZHACJKMWSA-N

Smiles

CCCCCCCC/C=C/CCCCCCCC(=O)OC

InChI

InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3/b11-10+

Property Name	Value
Molecular Formula	C19H36O2
Molecular Weight	296.27
AlogP	6.2
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	15.0
Polar Surface Area	26.3
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C19H36O2

Molecular Weight

296.27

AlogP

6.2

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

15.0

Polar Surface Area

26.3

Heavy Atoms

21.0

Resources	Reference
CAS NUMBER	1937-62-8
NORMAN SUSDAT
FDA SRS	625736WPN1
PubChem	5280590
ChemSpider	4444205.0

Resources

Reference

CAS NUMBER

1937-62-8

NORMAN SUSDAT

FDA SRS

625736WPN1

PubChem

5280590

ChemSpider

4444205.0

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

9-OCTADECENOIC ACID, METHYL ESTER, (9E)-

Structure

Physicochemical Descriptors

Cross References