EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	86926W49Y2
EPA CompTox	DTXSID90189772

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

86926W49Y2

EPA CompTox

DTXSID90189772


InChI Key	FJHNSGVMPSITEQ-UHFFFAOYSA-N
Smiles	CC(=O)CCCCCCCC=C
InChI	InChI=1S/C11H20O/c1-3-4-5-6-7-8-9-10-11(2)12/h3H,1,4-10H2,2H3

InChI Key

FJHNSGVMPSITEQ-UHFFFAOYSA-N

Smiles

CC(=O)CCCCCCCC=C

InChI

InChI=1S/C11H20O/c1-3-4-5-6-7-8-9-10-11(2)12/h3H,1,4-10H2,2H3

Property Name	Value
Molecular Formula	C11H20O1
Molecular Weight	168.15
AlogP	3.49
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	8.0
Polar Surface Area	17.07
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C11H20O1

Molecular Weight

168.15

AlogP

3.49

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

8.0

Polar Surface Area

17.07

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	36219-73-5
NORMAN SUSDAT
FDA SRS	86926W49Y2
PubChem	118928
ChemSpider	106272.0

Resources

Reference

CAS NUMBER

36219-73-5

NORMAN SUSDAT

FDA SRS

86926W49Y2

PubChem

118928

ChemSpider

106272.0

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

10-UNDECEN-2-ONE

Structure

Physicochemical Descriptors

Cross References