EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	9J9GD77RJI

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

9J9GD77RJI


InChI Key	XWAMHGPDZOVVND-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCCCCCC(O)CO
InChI	InChI=1S/C18H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17-19/h18-20H,2-17H2,1H3

InChI Key

XWAMHGPDZOVVND-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCCC(O)CO

InChI

InChI=1S/C18H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(20)17-19/h18-20H,2-17H2,1H3

Property Name	Value
Molecular Formula	C18H38O2
Molecular Weight	286.29
AlogP	5.21
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	16.0
Polar Surface Area	40.46
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C18H38O2

Molecular Weight

286.29

AlogP

5.21

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

16.0

Polar Surface Area

40.46

Heavy Atoms

20.0

Resources	Reference
CAS NUMBER	20294-76-2
NORMAN SUSDAT
FDA SRS	9J9GD77RJI
PubChem	89314
ChemSpider	80601.0

Resources

Reference

CAS NUMBER

20294-76-2

NORMAN SUSDAT

FDA SRS

9J9GD77RJI

PubChem

89314

ChemSpider

80601.0

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

STEARYL GLYCOL

Structure

Physicochemical Descriptors

Cross References