EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	AB344MQ5DQ
EPA CompTox	DTXSID30199254

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

AB344MQ5DQ

EPA CompTox

DTXSID30199254


InChI Key	NDQSUWBMIHEWOD-UHFFFAOYSA-N
Smiles	CCCCCCC(O)(CC)CC
InChI	InChI=1S/C11H24O/c1-4-7-8-9-10-11(12,5-2)6-3/h12H,4-10H2,1-3H3

InChI Key

NDQSUWBMIHEWOD-UHFFFAOYSA-N

Smiles

CCCCCCC(O)(CC)CC

InChI

InChI=1S/C11H24O/c1-4-7-8-9-10-11(12,5-2)6-3/h12H,4-10H2,1-3H3

Property Name	Value
Molecular Formula	C11H24O1
Molecular Weight	172.18
AlogP	3.51
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	7.0
Polar Surface Area	20.23
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C11H24O1

Molecular Weight

172.18

AlogP

3.51

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

7.0

Polar Surface Area

20.23

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	51246-24-3
NORMAN SUSDAT
FDA SRS	AB344MQ5DQ
PubChem	3016636
ChemSpider	2284556.0

Resources

Reference

CAS NUMBER

51246-24-3

NORMAN SUSDAT

FDA SRS

AB344MQ5DQ

PubChem

3016636

ChemSpider

2284556.0

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

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

Last update: Monday, 3 November 2025

3-ETHYLNONAN-3-OL

Structure

Physicochemical Descriptors

Cross References