EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	625246Q74Q
EPA CompTox	DTXSID80868302

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

625246Q74Q

EPA CompTox

DTXSID80868302


InChI Key	ZCYIZHWZWCLYQE-UHFFFAOYSA-N
Smiles	OC(C)(CCCCC)CC(C)C
InChI	InChI=1/C11H24O/c1-5-6-7-8-11(4,12)9-10(2)3/h10,12H,5-9H2,1-4H3

InChI Key

ZCYIZHWZWCLYQE-UHFFFAOYSA-N

Smiles

OC(C)(CCCCC)CC(C)C

InChI

InChI=1/C11H24O/c1-5-6-7-8-11(4,12)9-10(2)3/h10,12H,5-9H2,1-4H3

Property Name	Value
Molecular Formula	C11H24O
Molecular Weight	172.18
AlogP	3.36
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	6.0
Polar Surface Area	20.23
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C11H24O

Molecular Weight

172.18

AlogP

3.36

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

6.0

Polar Surface Area

20.23

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	74356-31-3
NORMAN SUSDAT
FDA SRS	625246Q74Q
PubChem	3018500

Resources

Reference

CAS NUMBER

74356-31-3

NORMAN SUSDAT

FDA SRS

625246Q74Q

PubChem

3018500

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

2,4-DIMETHYLNONAN-4-OL

Structure

Physicochemical Descriptors

Cross References